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

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

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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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

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/h3-6,17-19,24-25H,7-12,14H2,1-2H3/t17?,18?,19?,24?,25-,27?/m1/s1