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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O3S2/c1-13(2)18(23-19(24)17-5-4-10-27-17)21(25)26-11-16-12-28-20(22-16)15-8-6-14(3)7-9-15/h4-10,12-13,18H,11H2,1-3H3,(H,23,24)/t18-/m0/s1