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

Systemtic Name: 4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-methylthiazol-4-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-(2-methyl-4-thiazolyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(2-methylthiazol-4-yl)anilino]butyric acid Formula: C14H14N2O3S MolecularWeight: 290.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-9-15-12(8-20-9)10-3-2-4-11(7-10)16-13(17)5-6-14(18)19/h2-4,7-8H,5-6H2,1H3,(H,16,17)(H,18,19)