[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3S/c1-29-20-17(8-5-9-24-20)21(27)28-18(13-6-3-2-4-7-13)19(26)25-16-11-14(22)10-15(23)12-16/h2-12,18H,1H3,(H,25,26)