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

Systemtic Name: ethyl 6-cyano-2-(diethylcarbamoylsulfanylmethyl)-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-cyano-2-(diethylcarbamoylsulfanylmethyl)-5-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-cyano-2-[[[diethylamino(oxo)methyl]thio]methyl]-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-2-(diethylcarbamoylsulfanylmethyl)-5-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-cyano-2-[(diethylcarbamoylthio)methyl]-5-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SCC1=C(C(C(=C(N1)C#N)C)C2=CC=CS2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)SCC1=C(C(C(=C(N1)C#N)C)C2=CC=CS2)C(=O)OCC

InChI

InChI=1S/C20H25N3O3S2/c1-5-23(6-2)20(25)28-12-15-18(19(24)26-7-3)17(16-9-8-10-27-16)13(4)14(11-21)22-15/h8-10,17,22H,5-7,12H2,1-4H3