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

Systemtic Name: ethyl 7-chloranyl-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate Openeye Name: ethyl 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate CAS Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate Traditional Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid ethyl ester Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1SCCCN2C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1SCCCN2C)Cl

InChI

InChI=1S/C13H16ClNO2S/c1-3-17-13(16)10-7-9(14)8-11-12(10)18-6-4-5-15(11)2/h7-8H,3-6H2,1-2H3