ethyl (4S)-6-(cyanomethylsulfanyl)-5-(diethylcarbamoyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-6-(cyanomethylsulfanyl)-5-(diethylcarbamoyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(cyanomethylsulfanyl)-5-(diethylcarbamoyl)-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-(cyanomethylthio)-5-[diethylamino(oxo)methyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(cyanomethylsulfanyl)-5-(diethylcarbamoyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-(cyanomethylthio)-5-(diethylcarbamoyl)-2-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)C1=C(NC(=C(C1C2=CC=CS2)C(=O)OCC)C)SCC#N

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=C([C@@H]1C2=CC=CS2)C(=O)OCC)C)SCC#N

InChI

InChI=1S/C20H25N3O3S2/c1-5-23(6-2)19(24)17-16(14-9-8-11-27-14)15(20(25)26-7-3)13(4)22-18(17)28-12-10-21/h8-9,11,16,22H,5-7,12H2,1-4H3/t16-/m0/s1