[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C22H24N2O4S/c1-3-24(4-2)21(26)20(15-8-6-5-7-9-15)28-22(27)16-10-11-18-17(14-16)23-19(25)12-13-29-18/h5-11,14,20H,3-4,12-13H2,1-2H3,(H,23,25)/t20-/m0/s1