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

Systemtic Name: ethyl 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-(phenylmethylsulfanyl)carbonyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-benzylsulfanylcarbonyl-4-ethyl-2-(2-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-ethyl-2-(2-fluorophenyl)-6-methyl-5-[oxo-(phenylmethylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzylsulfanylcarbonyl-4-ethyl-2-(2-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(benzylthio)carbonyl-4-ethyl-2-(2-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C25H26FNO3S MolecularWeight: 439.542243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2F)C)C(=O)SCC3=CC=CC=C3

Isomeric SMILES

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2F)C)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C25H26FNO3S/c1-4-18-21(25(29)31-15-17-11-7-6-8-12-17)16(3)27-23(22(18)24(28)30-5-2)19-13-9-10-14-20(19)26/h6-14,18,27H,4-5,15H2,1-3H3