[(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2R)-1-oxo-1-[2-(phenylthio)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1R)-2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c1-16(28-23(27)18-13-11-17(15-25)12-14-18)22(26)24-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14,16,25H,15H2,1H3,(H,24,26)/t16-/m1/s1