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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)O)CC

InChI

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