ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)N)C

InChI

InChI=1S/C18H16ClN3O3S/c1-3-25-18(24)15-10(2)22-17(26-9-14(21)23)13(8-20)16(15)11-4-6-12(19)7-5-11/h4-7H,3,9H2,1-2H3,(H2,21,23)