6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-(4-hydroxy-2-methyl-phenyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 6-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-1-(4-hydroxy-2-methylphenyl)-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid Traditional Name: 6-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-1-(4-hydroxy-2-methyl-phenyl)-4-keto-nicotinic acid Formula: C21H15ClN2O4S2 MolecularWeight: 458.9378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C21H15ClN2O4S2/c1-11-6-14(25)3-4-17(11)24-9-15(20(27)28)18(26)8-13(24)10-29-21-23-16-7-12(22)2-5-19(16)30-21/h2-9,25H,10H2,1H3,(H,27,28)