ethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19FN2O2S2 MolecularWeight: 366.473363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O2S2/c1-4-22-16(21)14-10(2)11(3)24-15(14)20-17(23)19-9-12-5-7-13(18)8-6-12/h5-8H,4,9H2,1-3H3,(H2,19,20,23)