ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-methoxycarbonylphenyl)thio]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenylpyridine-3-carboxylate Traditional Name: 6-[(2-carbomethoxyphenyl)thio]-5-cyano-2-phenyl-nicotinic acid ethyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H18N2O4S/c1-3-29-23(27)18-13-16(14-24)21(25-20(18)15-9-5-4-6-10-15)30-19-12-8-7-11-17(19)22(26)28-2/h4-13H,3H2,1-2H3