methyl 4-(4-fluorophenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(allylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C16H15FN2O2S2 MolecularWeight: 350.430903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCC=C

InChI

InChI=1S/C16H15FN2O2S2/c1-3-8-18-16(22)19-14-13(15(20)21-2)12(9-23-14)10-4-6-11(17)7-5-10/h3-7,9H,1,8H2,2H3,(H2,18,19,22)