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

Systemtic Name: methyl 2,6-dimethyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-14-19(22(25)28-3)20(21(24(26)27)15(2)23-14)17-11-7-8-12-18(17)29-13-16-9-5-4-6-10-16/h4-12,20,23H,13H2,1-3H3