1,3-oxazole; thiophen-2-yl 3-butan-2-yloxy-2-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-4-yl)butanoate

Systemtic Name: 1,3-oxazole; thiophen-2-yl 3-butan-2-yloxy-2-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-4-yl)butanoate Openeye Name: oxazole; 2-thienyl 2-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-4-yl)-3-sec-butoxy-butanoate CAS Name: 3-butan-2-yloxy-2-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-4-yl)butanoic acid thiophen-2-yl ester; oxazole IUPAC Name: 1,3-oxazole; thiophen-2-yl 3-butan-2-yloxy-2-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-4-yl)butanoate Traditional Name: 2-m-anisyl-2-(1H-pyrazol-4-yl)-3-sec-butoxy-butyric acid 2-thienyl ester; oxazole Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(C)C(CC1=CC(=CC=C1)OC)(C2=CNN=C2)C(=O)OC3=CC=CS3.C1=COC=N1

Isomeric SMILES

CCC(C)OC(C)C(CC1=CC(=CC=C1)OC)(C2=CNN=C2)C(=O)OC3=CC=CS3.C1=COC=N1

InChI

InChI=1S/C23H28N2O4S.C3H3NO/c1-5-16(2)28-17(3)23(19-14-24-25-15-19,22(26)29-21-10-7-11-30-21)13-18-8-6-9-20(12-18)27-4;1-2-5-3-4-1/h6-12,14-17H,5,13H2,1-4H3,(H,24,25);1-3H