6-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13ClN2O3S/c1-9-2-4-11(16)6-12(9)18-13(19)8-22-14-5-3-10(7-17-14)15(20)21/h2-7H,8H2,1H3,(H,18,19)(H,20,21)