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

Systemtic Name: ethyl 5-ethanoyl-2-[(4-fluorophenyl)carbonylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(4-fluorobenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(4-fluorobenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O4S2/c1-4-25-17(24)13-9(2)14(10(3)22)27-16(13)21-18(26)20-15(23)11-5-7-12(19)8-6-11/h5-8H,4H2,1-3H3,(H2,20,21,23,26)