ethyl 2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]thio]acetic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(C(=N1)C)C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)CSC1=C([C@H](C(C(=N1)C)C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N

InChI

InChI=1S/C19H19N3O5S/c1-4-27-16(24)10-28-19-14(9-20)18(17(12(3)23)11(2)21-19)13-7-5-6-8-15(13)22(25)26/h5-8,17-18H,4,10H2,1-3H3/t17?,18-/m1/s1