tert-butyl 2-[[3-cyano-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[3-cyano-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]thio]acetic acid tert-butyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OC(C)(C)C)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)OC(C)(C)C)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)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/h6-9,19,23H,11H2,1-5H3