[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H24N2O4S3 MolecularWeight: 476.63196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(CCSC)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)[C@H](CCSC)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S3/c1-16-8-10-17(11-9-16)21-23-18(15-30-21)14-28-22(25)20(12-13-29-2)24-31(26,27)19-6-4-3-5-7-19/h3-11,15,20,24H,12-14H2,1-2H3/t20-/m0/s1