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

Systemtic Name: [5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridin-3-yl] propan-2-yl carbonate Openeye Name: [4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridin-3-yl] isopropyl carbonate CAS Name: carbonic acid [5-cyano-2,6-dimethyl-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridin-3-yl] propan-2-yl ester IUPAC Name: [4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate Traditional Name: carbonic acid [4-[2-(benzylthio)phenyl]-5-cyano-2,6-dimethyl-1,4-dihydropyridin-3-yl] isopropyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-16(2)29-25(28)30-24-18(4)27-17(3)21(14-26)23(24)20-12-8-9-13-22(20)31-15-19-10-6-5-7-11-19/h5-13,16,23,27H,15H2,1-4H3