ethyl 3-[2-[4-ethoxy-1-(2-methylphenyl)-4-oxidanylidene-butoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[2-[4-ethoxy-1-(2-methylphenyl)-4-oxidanylidene-butoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[2-[4-ethoxy-1-(o-tolyl)-4-oxo-butoxy]-4-(3-thienylmethoxy)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[2-[4-ethoxy-1-(2-methylphenyl)-4-oxobutoxy]-4-(3-thiophenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-ethoxy-1-(2-methylphenyl)-4-oxobutoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[2-[4-ethoxy-4-keto-1-(o-tolyl)butoxy]-4-(3-thenyloxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C30H32N2O6S MolecularWeight: 548.64988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NNC(=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NNC(=C4)C(=O)OCC

InChI

InChI=1S/C30H32N2O6S/c1-4-35-29(33)13-12-27(23-9-7-6-8-20(23)3)38-28-16-22(37-18-21-14-15-39-19-21)10-11-24(28)25-17-26(32-31-25)30(34)36-5-2/h6-11,14-17,19,27H,4-5,12-13,18H2,1-3H3,(H,31,32)