prop-2-enyl 5-cyano-2-methyl-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(4-nitroanilino)ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H22N4O5S MolecularWeight: 490.53098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C25H22N4O5S/c1-3-13-34-25(31)22-16(2)27-24(20(14-26)23(22)17-7-5-4-6-8-17)35-15-21(30)28-18-9-11-19(12-10-18)29(32)33/h3-12,23,27H,1,13,15H2,2H3,(H,28,30)