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

Systemtic Name: dimethyl 5-azanyl-3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[3-(trifluoromethyl)phenyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[3-(trifluoromethyl)phenyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14F3NO4S2 MolecularWeight: 405.41187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3NO4S2/c1-23-14(21)11-10(12(15(22)24-2)26-13(11)20)7-25-9-5-3-4-8(6-9)16(17,18)19/h3-6H,7,20H2,1-2H3