ethyl 5-azanyl-4-cyano-3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C20H18N4O4S/c1-2-27-20(26)17-16(15(10-21)18(22)29-17)12-28-19(25)14-6-4-13(5-7-14)11-24-9-3-8-23-24/h3-9H,2,11-12,22H2,1H3