Ethyl (2Z)-2-[(2,6-difluorobenzoyl)imino]-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate

HCID 5223683

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Basic information

CAS: 6277-36-7
Standard SMILES: CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1c(F)cccc1F)n2CC(=O)OC
InChIKey: QIEUWTIKAXNZBZ-UHFFFAOYSA-N
Molecular formula: C20H16F2N2O5S
Average molar mass: 434.4 g/mol
Monoisotopic mass: 434.07479911

Names & identifiers

Preferred name: Ethyl (2Z)-2-[(2,6-difluorobenzoyl)imino]-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate
IUPAC: ethyl 2-(2,6-difluorobenzoyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate

Names & synonyms

6277-36-7DTXSID60411259Ethyl (2Z)-2-[(2,6-difluorobenzoyl)imino]-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1,3-benzothiazole-6-carboxylateF1366-0236(Z)-ethyl 2-((2,6-difluorobenzoyl)imino)-3-(2-methoxy-2-oxoethyl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate

Database identifiers

CAS: 6277-36-7
PubChem CID: 5223683
DTXSID: DTXSID60411259

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 697

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