[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H20N2O4S/c1-13(19(24)21-12-14-5-3-2-4-6-14)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