(4-methylsulfanylphenyl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [4-(methylthio)benzyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO3S/c1-14(2)19(22-20(23)17-9-5-15(3)6-10-17)21(24)25-13-16-7-11-18(26-4)12-8-16/h5-12,14,19H,13H2,1-4H3,(H,22,23)