ethyl 5-azanyl-4-cyano-3-[2-(3-fluorophenyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(3-fluorophenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(3-fluorophenyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(3-fluorophenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3-fluorophenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(3-fluorophenyl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H15FN2O4S MolecularWeight: 362.375403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC(=CC=C2)F

InChI

InChI=1S/C17H15FN2O4S/c1-2-23-17(22)15-13(12(8-19)16(20)25-15)9-24-14(21)7-10-4-3-5-11(18)6-10/h3-6H,2,7,9,20H2,1H3