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

Systemtic Name: ethyl 5-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3,4-difluorophenyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3,4-difluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3,4-difluorophenyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3,4-difluorophenyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H12F2N2O2S2 MolecularWeight: 354.394786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F2N2O2S2/c1-2-21-15(20)13-10(9(6-18)14(19)23-13)7-22-8-3-4-11(16)12(17)5-8/h3-5H,2,7,19H2,1H3