diethyl 5-[(4-fluorophenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-fluorophenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-fluorophenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-fluorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-fluorophenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O4S2/c1-4-24-16(22)13-10(3)14(17(23)25-5-2)27-15(13)21-18(26)20-12-8-6-11(19)7-9-12/h6-9H,4-5H2,1-3H3,(H2,20,21,26)