4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate IUPAC Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Formula: C10H8NO3S- MolecularWeight: 222.24042

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)[O-])NC1=O

InChI

InChI=1S/C10H9NO3S/c12-9-3-4-15-8-2-1-6(10(13)14)5-7(8)11-9/h1-2,5H,3-4H2,(H,11,12)(H,13,14)/p-1