[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-18(2)24(28-25(30)19-11-5-3-6-12-19)26(31)32-17-23(29)27-21-15-9-10-16-22(21)33-20-13-7-4-8-14-20/h3-16,18,24H,17H2,1-2H3,(H,27,29)(H,28,30)/t24-/m0/s1