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

Systemtic Name: methyl 2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H15BrF2N2O2S2 MolecularWeight: 449.333306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2Br)F)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2Br)F)F)C

InChI

InChI=1S/C16H15BrF2N2O2S2/c1-4-9-7(2)25-14(12(9)15(22)23-3)21-16(24)20-13-10(17)5-8(18)6-11(13)19/h5-6H,4H2,1-3H3,(H2,20,21,24)