N-(1-adamantyl)-2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(1-adamantyl)acetamide CAS Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]thio]-N-(1-adamantyl)acetamide IUPAC Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(1-adamantyl)acetamide Traditional Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]thio]-N-(1-adamantyl)acetamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CC=C5[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C([C@H](C(=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CC=C5[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C27H30N4O4S/c1-15-24(16(2)32)25(20-5-3-4-6-22(20)31(34)35)21(13-28)26(29-15)36-14-23(33)30-27-10-17-7-18(11-27)9-19(8-17)12-27/h3-6,17-19,25,29H,7-12,14H2,1-2H3,(H,30,33)/t17?,18?,19?,25-,27?/m0/s1