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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)F)C)C3=CC=CS3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)F)C)C3=CC=CS3)C#N

InChI

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