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

Systemtic Name: diethyl 5-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2,4-dibromo-6-fluoro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2,4-dibromo-6-fluoroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2,4-dibromo-6-fluorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2,4-dibromo-6-fluoro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H17Br2FN2O4S2 MolecularWeight: 568.274983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2F)Br)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2F)Br)Br

InChI

InChI=1S/C18H17Br2FN2O4S2/c1-4-26-16(24)12-8(3)14(17(25)27-5-2)29-15(12)23-18(28)22-13-10(20)6-9(19)7-11(13)21/h6-7H,4-5H2,1-3H3,(H2,22,23,28)