methyl 2-(7-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate

Systemtic Name: methyl 2-(7-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate Openeye Name: methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate CAS Name: 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate Traditional Name: 2-(7-chloro-5-keto-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CNC(=O)C2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)CC1CNC(=O)C2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C12H12ClNO3S/c1-17-11(15)5-8-6-14-12(16)9-4-7(13)2-3-10(9)18-8/h2-4,8H,5-6H2,1H3,(H,14,16)