2-[1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-[(3-chlorophenyl)carbamoyl]propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[1-(3-chloroanilino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[1-[(3-chlorophenyl)carbamoyl]propylthio]nicotinic acid Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)Cl)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)Cl)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H15ClN2O3S/c1-2-13(14(20)19-11-6-3-5-10(17)9-11)23-15-12(16(21)22)7-4-8-18-15/h3-9,13H,2H2,1H3,(H,19,20)(H,21,22)