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

Systemtic Name: 4-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-butylphenyl)thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-butylphenyl)-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-butylphenyl)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:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)O

InChI

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