(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-9(2)13(16(22)23-8-12-14(17)24-20-19-12)18-15(21)11-6-4-10(3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,18,21)