methyl 6-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[2-(2-cyanoethylthio)anilino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-(2-cyanoethylthio)phenyl]carbamoyl]nicotinic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC=CC=C2SCCC#N

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC=CC=C2SCCC#N

InChI

InChI=1S/C17H15N3O3S/c1-23-17(22)12-7-8-14(19-11-12)16(21)20-13-5-2-3-6-15(13)24-10-4-9-18/h2-3,5-8,11H,4,10H2,1H3,(H,20,21)