4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-methyl-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]amino]-4-keto-butyrate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)[O-])C)C

InChI

InChI=1S/C16H18N2O3S/c1-9-4-5-12(8-10(9)2)15-11(3)22-16(18-15)17-13(19)6-7-14(20)21/h4-5,8H,6-7H2,1-3H3,(H,20,21)(H,17,18,19)/p-1