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

Systemtic Name: ethyl 6-[1-(1-adamantyl)ethylcarbamoylsulfanylmethyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[1-(1-adamantyl)ethylcarbamoylsulfanylmethyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[[[1-(1-adamantyl)ethylamino]-oxomethyl]thio]methyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(1-adamantyl)ethylcarbamoylsulfanylmethyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[1-(1-adamantyl)ethylcarbamoylthio]methyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C28H35N3O3S2 MolecularWeight: 525.7258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)CSC(=O)NC(C)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)CSC(=O)NC(C)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C28H35N3O3S2/c1-4-34-26(32)24-16(2)30-22(21(14-29)25(24)23-6-5-7-35-23)15-36-27(33)31-17(3)28-11-18-8-19(12-28)10-20(9-18)13-28/h5-7,17-20,25,30H,4,8-13,15H2,1-3H3,(H,31,33)