2-cyanoethyl 2,6-dimethyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 2,6-dimethyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 4-(2-benzylsulfanylphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-(2-benzylsulfanylphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S/c1-16-21(24(28)31-14-8-13-25)22(23(27(29)30)17(2)26-16)19-11-6-7-12-20(19)32-15-18-9-4-3-5-10-18/h3-7,9-12,22,26H,8,14-15H2,1-2H3