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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 1-thiophen-2-ylcyclopentane-1-carboxylate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 1-(2-thienyl)cyclopentanecarboxylate CAS Name: 1-thiophen-2-yl-1-cyclopentanecarboxylic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 1-thiophen-2-ylcyclopentane-1-carboxylate Traditional Name: 1-(2-thienyl)cyclopentanecarboxylic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CS2)C(=O)OCC3=NOC(=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)(C2=CC=CS2)C(=O)OCC3=NOC(=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19NO5S/c23-20(21(7-1-2-8-21)19-4-3-9-28-19)24-12-15-11-17(27-22-15)14-5-6-16-18(10-14)26-13-25-16/h3-6,9-11H,1-2,7-8,12-13H2