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

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H14ClFN2O2S2 MolecularWeight: 372.865263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C15H14ClFN2O2S2/c1-3-9-7-10(14(20)21-2)13(23-9)19-15(22)18-8-4-5-12(17)11(16)6-8/h4-7H,3H2,1-2H3,(H2,18,19,22)