ethyl 6-(1-adamantylcarbonylsulfanylmethyl)-3-cyano-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-2-carboxylate

Systemtic Name: ethyl 6-(1-adamantylcarbonylsulfanylmethyl)-3-cyano-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-2-carboxylate Openeye Name: ethyl 6-(adamantane-1-carbonylsulfanylmethyl)-3-cyano-5-methyl-4-(2-thienyl)-1,4-dihydropyridine-2-carboxylate CAS Name: 6-[[[1-adamantyl(oxo)methyl]thio]methyl]-3-cyano-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(adamantane-1-carbonylsulfanylmethyl)-3-cyano-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-2-carboxylate Traditional Name: 6-[(adamantane-1-carbonylthio)methyl]-3-cyano-5-methyl-4-(2-thienyl)-1,4-dihydropyridine-2-carboxylic acid ethyl ester Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=C(N1)CSC(=O)C23CC4CC(C2)CC(C4)C3)C)C5=CC=CS5)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(C(=C(N1)CSC(=O)C23CC4CC(C2)CC(C4)C3)C)C5=CC=CS5)C#N

InChI

InChI=1S/C26H30N2O3S2/c1-3-31-24(29)23-19(13-27)22(21-5-4-6-32-21)15(2)20(28-23)14-33-25(30)26-10-16-7-17(11-26)9-18(8-16)12-26/h4-6,16-18,22,28H,3,7-12,14H2,1-2H3