ethyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]propanoate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]thio]propionic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H25N3O3S/c1-4-31-25(30)17(3)32-24-20(15-26)22(18-11-7-5-8-12-18)21(16(2)27-24)23(29)28-19-13-9-6-10-14-19/h5-14,17,22,27H,4H2,1-3H3,(H,28,29)