1-pyridin-2-ylethyl 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 1-pyridin-2-ylethyl 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 1-(2-pyridyl)ethyl 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid 1-(2-pyridinyl)ethyl ester IUPAC Name: 1-pyridin-2-ylethyl 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]nicotinic acid 1-(2-pyridyl)ethyl ester Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C=CC=N2)C(=O)OC(C)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C=CC=N2)C(=O)OC(C)C3=CC=CC=N3

InChI

InChI=1S/C22H20ClN3O3S/c1-14-17(23)8-5-10-18(14)26-20(27)13-30-21-16(7-6-12-25-21)22(28)29-15(2)19-9-3-4-11-24-19/h3-12,15H,13H2,1-2H3,(H,26,27)