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

Systemtic Name: ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H19FN2O3S2 MolecularWeight: 442.526263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H19FN2O3S2/c1-3-28-22(27)19-13(2)25-21(16(11-24)20(19)18-5-4-10-29-18)30-12-17(26)14-6-8-15(23)9-7-14/h4-10,20,25H,3,12H2,1-2H3