[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]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 [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 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 [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H20N2O4S/c1-13(14-5-3-2-4-6-14)21-19(24)12-26-20(25)15-7-8-17-16(11-15)22-18(23)9-10-27-17/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)(H,22,23)/t13-/m1/s1