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

Systemtic Name: tert-butyl 2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H23N3O5S/c1-12-18(13(2)25)19(14-8-6-7-9-16(14)24(27)28)15(10-22)20(23-12)30-11-17(26)29-21(3,4)5/h6-9,18-19H,11H2,1-5H3/t18?,19-/m1/s1