ethyl 2-[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-4-(3-chlorophenyl)-3-cyano-6-methyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C24H20ClN3O3S/c1-3-31-20(29)14-32-24-19(13-26)22(16-8-7-9-17(25)12-16)21(15(2)27-24)23(30)28-18-10-5-4-6-11-18/h4-12H,3,14H2,1-2H3,(H,28,30)