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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC(=C(C=C2)Cl)F)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC(=C(C=C2)Cl)F)C

InChI

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