[(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2R)-1-oxo-1-[2-(phenylthio)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1R)-2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C22H20N2O4S/c1-14(25)16-12-19(23-13-16)22(27)28-15(2)21(26)24-18-10-6-7-11-20(18)29-17-8-4-3-5-9-17/h3-13,15,23H,1-2H3,(H,24,26)/t15-/m1/s1