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

Systemtic Name: diethyl 5-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-bromo-2-fluoro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-bromo-2-fluorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-2-fluoro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H18BrFN2O4S2 MolecularWeight: 489.378923

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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=C2)Br)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H18BrFN2O4S2/c1-4-25-16(23)13-9(3)14(17(24)26-5-2)28-15(13)22-18(27)21-12-7-6-10(19)8-11(12)20/h6-8H,4-5H2,1-3H3,(H2,21,22,27)