methyl 3-[(3-fluorophenyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-fluorophenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-fluorophenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-fluorophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(3-fluorophenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H11FN2O2S2 MolecularWeight: 310.367043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC(=CC=C2)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC(=CC=C2)F

InChI

InChI=1S/C13H11FN2O2S2/c1-18-12(17)11-10(5-6-20-11)16-13(19)15-9-4-2-3-8(14)7-9/h2-7H,1H3,(H2,15,16,19)