ethyl 7-chloranyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-9-carboxylate

Systemtic Name: ethyl 7-chloranyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-9-carboxylate Openeye Name: ethyl 7-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine-9-carboxylate CAS Name: 7-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine-9-carboxylate Traditional Name: 7-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine-9-carboxylic acid ethyl ester Formula: C12H14ClNO2S MolecularWeight: 271.76306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1SCCCN2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1SCCCN2)Cl

InChI

InChI=1S/C12H14ClNO2S/c1-2-16-12(15)9-6-8(13)7-10-11(9)17-5-3-4-14-10/h6-7,14H,2-5H2,1H3