ethyl 7-chloranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylate Openeye Name: ethyl 7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylate CAS Name: 7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylate Traditional Name: 7-chloro-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid ethyl ester Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1SCCC(=O)N2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1SCCC(=O)N2)Cl

InChI

InChI=1S/C12H12ClNO3S/c1-2-17-12(16)8-5-7(13)6-9-11(8)18-4-3-10(15)14-9/h5-6H,2-4H2,1H3,(H,14,15)