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

Systemtic Name: diethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-fluorophenyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23FN2O4S2 MolecularWeight: 438.536023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN2O4S2/c1-4-26-18(24)15-12(3)16(19(25)27-5-2)29-17(15)23-20(28)22-11-10-13-6-8-14(21)9-7-13/h6-9H,4-5,10-11H2,1-3H3,(H2,22,23,28)