methyl 4-[5-cyano-2-methyl-3-(phenylcarbamoyl)-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridin-4-yl]benzoate

Systemtic Name: methyl 4-[5-cyano-2-methyl-3-(phenylcarbamoyl)-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridin-4-yl]benzoate Openeye Name: methyl 4-[5-cyano-2-methyl-3-(phenylcarbamoyl)-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridin-4-yl]benzoate CAS Name: 4-[3-[anilino(oxo)methyl]-5-cyano-2-methyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-cyano-2-methyl-3-(phenylcarbamoyl)-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridin-4-yl]benzoate Traditional Name: 4-[5-cyano-2-methyl-3-(phenylcarbamoyl)-6-(3-pyridylmethylthio)-1,4-dihydropyridin-4-yl]benzoic acid methyl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H24N4O3S/c1-18-24(26(33)32-22-8-4-3-5-9-22)25(20-10-12-21(13-11-20)28(34)35-2)23(15-29)27(31-18)36-17-19-7-6-14-30-16-19/h3-14,16,25,31H,17H2,1-2H3,(H,32,33)