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

Systemtic Name: dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-fluorophenyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C18H19FN2O4S2/c1-10-13(16(22)24-2)15(27-14(10)17(23)25-3)21-18(26)20-9-8-11-4-6-12(19)7-5-11/h4-7H,8-9H2,1-3H3,(H2,20,21,26)