methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate

Systemtic Name: methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate Openeye Name: methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate CAS Name: 2-(5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate Traditional Name: 2-(5-keto-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CNC(=O)C2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CC1CNC(=O)C2=CC=CC=C2S1

InChI

InChI=1S/C12H13NO3S/c1-16-11(14)6-8-7-13-12(15)9-4-2-3-5-10(9)17-8/h2-5,8H,6-7H2,1H3,(H,13,15)