[(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2R)-1-oxo-1-[2-(phenylthio)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1R)-2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC=CN3C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H20N2O3S/c1-15(26-21(25)18-12-8-14-23(18)2)20(24)22-17-11-6-7-13-19(17)27-16-9-4-3-5-10-16/h3-15H,1-2H3,(H,22,24)/t15-/m1/s1