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

Systemtic Name: 2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]quinoline-4-carboxylic acid Openeye Name: 2-[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanylquinoline-4-carboxylic acid CAS Name: 2-[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]-4-quinolinecarboxylic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]quinoline-4-carboxylic acid Traditional Name: 2-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]cinchoninic acid Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C16H12N2O4S2/c1-8-12(7-14(19)20)23-16(17-8)24-13-6-10(15(21)22)9-4-2-3-5-11(9)18-13/h2-6H,7H2,1H3,(H,19,20)(H,21,22)