O3-(2-cyanoethyl) O5-(2-sulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-cyanoethyl) O5-(2-sulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-(2-sulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-(2-mercaptoethyl) ester IUPAC Name: 3-O-(2-cyanoethyl) 5-O-(2-sulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-(2-mercaptoethyl) ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-12-16(19(24)28-8-4-7-21)18(14-5-3-6-15(11-14)23(26)27)17(13(2)22-12)20(25)29-9-10-30/h3,5-6,11,18,22,30H,4,8-10H2,1-2H3