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

Systemtic Name: ethyl 2-[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-4-32-21(29)15-33-25-20(14-26)23(17-10-12-19(31-3)13-11-17)22(16(2)27-25)24(30)28-18-8-6-5-7-9-18/h5-13H,4,15H2,1-3H3,(H,28,30)