ethyl 4-ethyl-2-[(2-fluorophenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-2-[(2-fluorophenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[(2-fluorobenzoyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[[(2-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[(2-fluorobenzoyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(2-fluorobenzoyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19FN2O3S2 MolecularWeight: 394.483463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC(=O)C2=CC=CC=C2F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C18H19FN2O3S2/c1-4-11-10(3)26-16(14(11)17(23)24-5-2)21-18(25)20-15(22)12-8-6-7-9-13(12)19/h6-9H,4-5H2,1-3H3,(H2,20,21,22,25)