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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-isopropyl-thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-propan-2-yl-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-isopropyl-thiazol-2-yl]amino]-4-keto-butyric acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-10(2)17-16(13-6-5-11(3)12(4)9-13)20-18(24-17)19-14(21)7-8-15(22)23/h5-6,9-10H,7-8H2,1-4H3,(H,22,23)(H,19,20,21)