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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@H](C1C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C)C

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/h5-8,14,18H,4,10H2,1-3H3/t14?,18-/m0/s1