(1-phenylpyrazol-4-yl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Traditional Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N2O2S/c21-18(17-9-14-5-4-8-16(14)23-17)22-12-13-10-19-20(11-13)15-6-2-1-3-7-15/h1-3,6-7,9-11H,4-5,8,12H2