4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-8-methoxy-quinoline-2-carboxylic acid

Systemtic Name: 4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-8-methoxy-quinoline-2-carboxylic acid Openeye Name: 4-[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanyl-8-methoxy-quinoline-2-carboxylic acid CAS Name: 4-[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]-8-methoxy-2-quinolinecarboxylic acid IUPAC Name: 4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-8-methoxyquinoline-2-carboxylic acid Traditional Name: 4-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]-8-methoxy-quinaldic acid Formula: C17H14N2O5S2 MolecularWeight: 390.43346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=CC(=NC3=C2C=CC=C3OC)C(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=CC(=NC3=C2C=CC=C3OC)C(=O)O)CC(=O)O

InChI

InChI=1S/C17H14N2O5S2/c1-8-12(7-14(20)21)25-17(18-8)26-13-6-10(16(22)23)19-15-9(13)4-3-5-11(15)24-2/h3-6H,7H2,1-2H3,(H,20,21)(H,22,23)