(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 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 (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 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 (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)NC1=O

InChI

InChI=1S/C20H15NO6S/c22-13-2-3-14-12(8-19(24)27-16(14)9-13)10-26-20(25)11-1-4-17-15(7-11)21-18(23)5-6-28-17/h1-4,7-9,22H,5-6,10H2,(H,21,23)