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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [2-(3-thienyl)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)C(=O)NC(C(C)C)C(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

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