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[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name:[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
Openeye Name:[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CAS Name:4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC Name:[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
Traditional Name:4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester
Formula: C20H19NO6S
MolecularWeight: 401.43296
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC


Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC


InChI

InChI=1S/C20H19NO6S/c1-25-16-5-3-12(10-17(16)26-2)15(22)11-27-20(24)13-4-6-18-14(9-13)21-19(23)7-8-28-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)


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