ethyl 2-phenyl-1,5-dihydro-4,1-benzothiazepine-3-carboxylate

Systemtic Name: ethyl 2-phenyl-1,5-dihydro-4,1-benzothiazepine-3-carboxylate Openeye Name: ethyl 2-phenyl-1,5-dihydro-4,1-benzothiazepine-3-carboxylate CAS Name: 2-phenyl-1,5-dihydro-4,1-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-1,5-dihydro-4,1-benzothiazepine-3-carboxylate Traditional Name: 2-phenyl-1,5-dihydro-4,1-benzothiazepine-3-carboxylic acid ethyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2CS1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2CS1)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c1-2-21-18(20)17-16(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)12-22-17/h3-11,19H,2,12H2,1H3