diethyl 4-thiophen-2-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-thiophen-2-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-thienyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-thiophen-2-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-thiophen-2-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-thienyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C17H15F6NO4S MolecularWeight: 443.360719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)OCC)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)OCC)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H15F6NO4S/c1-3-27-14(25)10-9(8-6-5-7-29-8)11(15(26)28-4-2)13(17(21,22)23)24-12(10)16(18,19)20/h5-7,9,24H,3-4H2,1-2H3