[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfanylphenyl)ethanoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfanylphenyl)ethanoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 2-(4-isopropylsulfanylphenyl)acetate CAS Name: 2-[4-(propan-2-ylthio)phenyl]acetic 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 2-(4-propan-2-ylsulfanylphenyl)acetate Traditional Name: 2-[4-(isopropylthio)phenyl]acetic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO5S/c1-14(2)29-18-6-3-15(4-7-18)9-22(24)25-12-17-11-20(28-23-17)16-5-8-19-21(10-16)27-13-26-19/h3-8,10-11,14H,9,12-13H2,1-2H3