dimethyl 5-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H13BrF2N2O4S2 MolecularWeight: 479.316226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2Br)F)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2Br)F)F)C(=O)OC

InChI

InChI=1S/C16H13BrF2N2O4S2/c1-6-10(14(22)24-2)13(27-12(6)15(23)25-3)21-16(26)20-11-8(17)4-7(18)5-9(11)19/h4-5H,1-3H3,(H2,20,21,26)