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

Systemtic Name: O5-(2-cyanoethyl) O3-(3-phenylsulfanylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-cyanoethyl) O3-(3-phenylsulfanylpropyl) 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 O5-(2-cyanoethyl) ester O3-[3-(phenylthio)propyl] ester IUPAC Name: 5-O-(2-cyanoethyl) 3-O-(3-phenylsulfanylpropyl) 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 O5-(2-cyanoethyl) ester O3-[3-(phenylthio)propyl] ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCSC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O6S/c1-18-23(26(31)35-14-7-13-28)25(20-9-6-10-21(17-20)30(33)34)24(19(2)29-18)27(32)36-15-8-16-37-22-11-4-3-5-12-22/h3-6,9-12,17,25,29H,7-8,14-16H2,1-2H3