ethyl 5-azanyl-4-cyano-3-[2-(1-phenylpyrazol-4-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(1-phenylpyrazol-4-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(1-phenylpyrazol-4-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(1-phenylpyrazol-4-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(1-phenylpyrazol-4-yl)acetyl]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)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

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