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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C([C@@H]([C@@H]1C2=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/h5-8,14,17H,4,10H2,1-3H3/t14-,17+/m1/s1