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

Systemtic Name: ethyl 5-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H13ClFN3O2S2 MolecularWeight: 397.874723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClFN3O2S2/c1-3-23-15(22)13-8(2)10(7-19)14(25-13)21-16(24)20-9-4-5-12(18)11(17)6-9/h4-6H,3H2,1-2H3,(H2,20,21,24)