ethyl 5-(4-fluorophenyl)-3-(prop-2-enylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-(prop-2-enylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-(allylcarbamothioylamino)-5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-(prop-2-enylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-5-(4-fluorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=S)NCC=C

InChI

InChI=1S/C17H17FN2O2S2/c1-3-9-19-17(23)20-13-10-14(11-5-7-12(18)8-6-11)24-15(13)16(21)22-4-2/h3,5-8,10H,1,4,9H2,2H3,(H2,19,20,23)