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

Systemtic Name: ethyl 4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: ethyl 4-(o-tolyl)-4-[2-(1H-pyrazol-5-yl)-5-(3-thienylmethoxy)phenoxy]butanoate CAS Name: 4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(3-thiophenylmethoxy)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-(o-tolyl)-4-[2-(1H-pyrazol-5-yl)-5-(3-thenyloxy)phenoxy]butyric acid ethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

InChI

InChI=1S/C27H28N2O4S/c1-3-31-27(30)11-10-25(22-7-5-4-6-19(22)2)33-26-16-21(32-17-20-13-15-34-18-20)8-9-23(26)24-12-14-28-29-24/h4-9,12-16,18,25H,3,10-11,17H2,1-2H3,(H,28,29)