methyl 7,8-diethoxy-3-phenyl-4,5-dihydro-1,4-benzothiazepine-2-carboxylate

Systemtic Name: methyl 7,8-diethoxy-3-phenyl-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Openeye Name: methyl 7,8-diethoxy-3-phenyl-4,5-dihydro-1,4-benzothiazepine-2-carboxylate CAS Name: 7,8-diethoxy-3-phenyl-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 7,8-diethoxy-3-phenyl-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Traditional Name: 7,8-diethoxy-3-phenyl-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CNC(=C(S2)C(=O)OC)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CNC(=C(S2)C(=O)OC)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H23NO4S/c1-4-25-16-11-15-13-22-19(14-9-7-6-8-10-14)20(21(23)24-3)27-18(15)12-17(16)26-5-2/h6-12,22H,4-5,13H2,1-3H3