4-[[4-(3,4-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-ethyl-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]amino]-4-keto-butyric acid Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)CCC(=O)O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)CCC(=O)O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H20N2O3S/c1-4-13-16(12-6-5-10(2)11(3)9-12)19-17(23-13)18-14(20)7-8-15(21)22/h5-6,9H,4,7-8H2,1-3H3,(H,21,22)(H,18,19,20)