(4R)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C23CC4CC(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)C23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CC=C5[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C27H29N3O4S/c1-15-24(16(2)31)25(20-5-3-4-6-22(20)30(33)34)21(13-28)26(29-15)35-14-23(32)27-10-17-7-18(11-27)9-19(8-17)12-27/h3-6,17-19,25,29H,7-12,14H2,1-2H3/t17?,18?,19?,25-,27?/m0/s1