3-carbomethoxy-4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine 1,1-dioxide

HCID 54707259

기본 정보

표준 SMILES
COC(=O)C1=C(O)c2sc3ccccc3c2S(=O)(=O)N1C
InChIKey
WXEFWKWOTRHRJM-UHFFFAOYSA-N
분자식
C13H11NO5S2
평균 분자량
325.4 g/mol

이름 및 식별자

우선 이름
3-carbomethoxy-4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine 1,1-dioxide
IUPAC
methyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate

이름 및 동의어

SCHEMBL10964363WXEFWKWOTRHRJM-UHFFFAOYSA-N3-carbomethoxy-4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine 1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-[1] benzothieno [2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-[1]-benzothieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-[1]benzothieno-[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxideMethyl 4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H[1] benzothieno [2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxide

데이터베이스 식별자

PubChem CID
54707259

물성

구조 계산 물성

XLogP
2.2
극성 표면적
121 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
21

관련 반응

32건

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