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

Systemtic Name: ethyl (4S)-6-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[[2-(1-adamantylamino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CS2)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H31N3O3S2/c1-3-32-25(31)22-15(2)28-24(19(13-27)23(22)20-5-4-6-33-20)34-14-21(30)29-26-10-16-7-17(11-26)9-18(8-16)12-26/h4-6,16-18,23,28H,3,7-12,14H2,1-2H3,(H,29,30)/t16?,17?,18?,23-,26?/m0/s1