ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-(2-oxidanylidenepropylsulfanyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-(2-oxidanylidenepropylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-acetonylsulfanyl-5-cyano-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-(2-nitrophenyl)-6-(2-oxopropylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-(2-oxopropylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-(acetonylthio)-5-cyano-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C#N)SCC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C#N)SCC(=O)C)C

InChI

InChI=1S/C19H19N3O5S/c1-4-27-19(24)16-12(3)21-18(28-10-11(2)23)14(9-20)17(16)13-7-5-6-8-15(13)22(25)26/h5-8,17,21H,4,10H2,1-3H3