기본 정보
- CAS
352640-87-0- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)c3cc(C)ccc32)S1- InChIKey
ITHYIPXYFNFAEJ-UHFFFAOYSA-N- 분자식
- C36H30N2O7S3
- 평균 분자량
- 698.8 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C36H30N2O7S3
- 분자량
- 698.83
이름 및 동의어
dimethyl 2-(1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCDS1_002772ChemDiv1_022548DivK1c_003812HMS651A20STK093273AKOS001621578AKOS016301194dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50103290AK-968/121165274,5-DIMETHYL 2-{1-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-3-PHENYLPROPANOYL]-2,2,7-TRIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE}-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxo-3-phenylpropyl]-2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-(1-(2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[2-(1,3-dioxobenzo[c]azolin-2-yl)-3-phenylpropanoyl]-2,2,7-trimeth yl-3-thioxo(4-1,2-dihydroquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4- carboxylate
데이터베이스 식별자
- CAS
352640-87-0
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,410
화학 및 산업
공급사3 곳
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