methyl (4R)-6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4R)-6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4R)-6-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[[2-(1-adamantyl)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[[2-(1-adamantyl)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC=CS2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC=CS2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O3S2/c1-14-21(24(29)30-2)22(19-4-3-5-31-19)18(12-26)23(27-14)32-13-20(28)25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,15-17,21-22H,6-11,13H2,1-2H3/t15?,16?,17?,21?,22-,25?/m1/s1