ethyl 4-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-pyridin-3-yl-1,4-dihydropyridin-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-pyridin-3-yl-1,4-dihydropyridin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(3-pyridyl)-1,4-dihydropyridin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-pyridin-3-yl-1,4-dihydropyridin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(3-pyridyl)-1,4-dihydropyridin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CN=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C25H24N4O4S/c1-3-33-21(31)12-19(30)15-34-25-20(13-26)23(17-8-7-11-27-14-17)22(16(2)28-25)24(32)29-18-9-5-4-6-10-18/h4-11,14,23,28H,3,12,15H2,1-2H3,(H,29,32)