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

Systemtic Name: ethyl 5-azanyl-3-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(3-chloro-4-fluorophenyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C15H12ClFN2O2S2 MolecularWeight: 370.849383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H12ClFN2O2S2/c1-2-21-15(20)13-10(9(6-18)14(19)23-13)7-22-8-3-4-12(17)11(16)5-8/h3-5H,2,7,19H2,1H3