ethyl 5-azanyl-3-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H17ClFN3O2S MolecularWeight: 381.852183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H17ClFN3O2S/c1-3-24-17(23)15-11(10(7-20)16(21)25-15)8-22(2)9-12-13(18)5-4-6-14(12)19/h4-6H,3,8-9,21H2,1-2H3