[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylbenzoate

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylbenzoate Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17NO5S/c1-27-19-5-3-2-4-15(19)20(22)25-12-14-11-17(26-21-14)13-6-7-16-18(10-13)24-9-8-23-16/h2-7,10-11H,8-9,12H2,1H3