ethyl 5-azanyl-3-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(difluoromethyl)-2-benzimidazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(difluoromethyl)benzimidazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H14F2N4O2S2 MolecularWeight: 408.445466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3N2C(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3N2C(F)F

InChI

InChI=1S/C17H14F2N4O2S2/c1-2-25-15(24)13-10(9(7-20)14(21)27-13)8-26-17-22-11-5-3-4-6-12(11)23(17)16(18)19/h3-6,16H,2,8,21H2,1H3