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

Systemtic Name: [(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(1R)-2-(2-benzoylhydrazino)-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-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-benzoylhydrazinyl)-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-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-12(18(25)22-23-19(26)13-5-3-2-4-6-13)28-20(27)14-7-8-16-15(11-14)21-17(24)9-10-29-16/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)/t12-/m1/s1