propan-2-yl 5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C25H26N2O2S/c1-16(2)29-25(28)23-18(4)27-17(3)21(14-26)24(23)20-12-8-9-13-22(20)30-15-19-10-6-5-7-11-19/h5-13,16,24,27H,15H2,1-4H3