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

Systemtic Name: 4-cyanobutan-2-yl [2,6-dimethyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate Openeye Name: [4-(2-benzylsulfanylphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] (3-cyano-1-methyl-propyl) carbonate CAS Name: carbonic acid 4-cyanobutan-2-yl [2,6-dimethyl-5-nitro-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridin-3-yl] ester IUPAC Name: [4-(2-benzylsulfanylphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] 4-cyanobutan-2-yl carbonate Traditional Name: carbonic acid [4-[2-(benzylthio)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] (3-cyano-1-methyl-propyl) ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)OC(=O)OC(C)CCC#N)C2=CC=CC=C2SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)OC(=O)OC(C)CCC#N)C2=CC=CC=C2SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O5S/c1-17(10-9-15-27)33-26(30)34-25-19(3)28-18(2)24(29(31)32)23(25)21-13-7-8-14-22(21)35-16-20-11-5-4-6-12-20/h4-8,11-14,17,23,28H,9-10,16H2,1-3H3