4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(5-carbethoxy-1H-pyrazol-3-yl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C28H27N2O6S- MolecularWeight: 519.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CSC=C3)OC(CCC(=O)[O-])C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CSC=C3)OC(CCC(=O)[O-])C4=CC=CC=C4C

InChI

InChI=1S/C28H28N2O6S/c1-3-34-28(33)24-15-23(29-30-24)22-9-8-20(35-16-19-12-13-37-17-19)14-26(22)36-25(10-11-27(31)32)21-7-5-4-6-18(21)2/h4-9,12-15,17,25H,3,10-11,16H2,1-2H3,(H,29,30)(H,31,32)/p-1