ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16ClFN2O2S2 MolecularWeight: 386.891843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H16ClFN2O2S2/c1-4-22-15(21)13-8(2)9(3)24-14(13)20-16(23)19-10-5-6-12(18)11(17)7-10/h5-7H,4H2,1-3H3,(H2,19,20,23)