4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]-3-methyl-benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H18N2O5S/c1-11-8-13(20(24)25)4-6-14(11)21-18(23)15-10-28-19(22-15)12-5-7-16(26-2)17(9-12)27-3/h4-10H,1-3H3,(H,21,23)(H,24,25)