4-[[4-azanyl-5-(4-methylpyridin-3-yl)carbonyl-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-azanyl-5-(4-methylpyridin-3-yl)carbonyl-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-amino-5-(4-methylpyridine-3-carbonyl)thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-amino-5-[(4-methyl-3-pyridinyl)-oxomethyl]-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-amino-5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-amino-5-(4-methylnicotinoyl)thiazol-2-yl]amino]benzoic acid Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C17H14N4O3S/c1-9-6-7-19-8-12(9)13(22)14-15(18)21-17(25-14)20-11-4-2-10(3-5-11)16(23)24/h2-8H,18H2,1H3,(H,20,21)(H,23,24)