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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-[2-(phenylthio)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1R)-2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H18N2O4S/c1-15(27-21(25)18-12-7-8-14-23(18)26)20(24)22-17-11-5-6-13-19(17)28-16-9-3-2-4-10-16/h2-15H,1H3,(H,22,24)/t15-/m1/s1