methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-fluorophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H10ClFN2O2S2 MolecularWeight: 344.812103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClFN2O2S2/c1-19-12(18)11-10(4-5-21-11)17-13(20)16-7-2-3-9(15)8(14)6-7/h2-6H,1H3,(H2,16,17,20)