dimethyl 5-azanyl-3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H13F3N2O4S2 MolecularWeight: 406.39993

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)C(F)(F)F)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)C(F)(F)F)C(=O)OC)N

InChI

InChI=1S/C15H13F3N2O4S2/c1-23-13(21)10-8(11(14(22)24-2)26-12(10)19)6-25-9-4-3-7(5-20-9)15(16,17)18/h3-5H,6,19H2,1-2H3