[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-thiophen-2-ylcyclopentane-1-carboxylate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-thiophen-2-ylcyclopentane-1-carboxylate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 1-(2-thienyl)cyclopentanecarboxylate CAS Name: 1-thiophen-2-yl-1-cyclopentanecarboxylic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-thiophen-2-ylcyclopentane-1-carboxylate Traditional Name: 1-(2-thienyl)cyclopentanecarboxylic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3(CCCC3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3(CCCC3)C4=CC=CS4)OC

InChI

InChI=1S/C22H23NO5S/c1-25-17-8-7-15(12-19(17)26-2)18-13-16(23-28-18)14-27-21(24)22(9-3-4-10-22)20-6-5-11-29-20/h5-8,11-13H,3-4,9-10,14H2,1-2H3