[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14O5S/c1-23-16-5-3-2-4-12(16)17(19)20-9-13(18)11-6-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3