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

Systemtic Name: O3-(2-cyanoethyl) O5-(2-methylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-(2-methylsulfanylethyl) 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-(methylthio)ethyl] ester IUPAC Name: 3-O-(2-cyanoethyl) 5-O-(2-methylsulfanylethyl) 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-(methylthio)ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-13-17(20(25)29-9-5-8-22)19(15-6-4-7-16(12-15)24(27)28)18(14(2)23-13)21(26)30-10-11-31-3/h4,6-7,12,19,23H,5,9-11H2,1-3H3