ethyl 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-[oxo-(phenethylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-phenethylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-(phenethylthio)carbonyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H28FNO3S MolecularWeight: 453.568823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2F)C)C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2F)C)C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C26H28FNO3S/c1-4-19-22(26(30)32-16-15-18-11-7-6-8-12-18)17(3)28-24(23(19)25(29)31-5-2)20-13-9-10-14-21(20)27/h6-14,19,28H,4-5,15-16H2,1-3H3