ethyl 3-(ethylcarbamothioylamino)-5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-(ethylcarbamothioylamino)-5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-(ethylcarbamothioylamino)-5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 3-[[ethylamino(sulfanylidene)methyl]amino]-5-(4-fluorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(ethylcarbamothioylamino)-5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 3-(ethylthiocarbamoylamino)-5-(4-fluorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(SC(=C1)C2=CC=C(C=C2)F)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(SC(=C1)C2=CC=C(C=C2)F)C(=O)OCC

InChI

InChI=1S/C16H17FN2O2S2/c1-3-18-16(22)19-12-9-13(10-5-7-11(17)8-6-10)23-14(12)15(20)21-4-2/h5-9H,3-4H2,1-2H3,(H2,18,19,22)