S-[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1,3-benzodioxol-5-ylmethyl)-3-oxopropyl] ester IUPAC Name: S-[2-(1,3-benzodioxol-5-ylmethyl)-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(1,3-benzodioxol-5-yl)-2-formyl-propyl] ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCO2)C=O

Isomeric SMILES

CC(=O)SCC(CC1=CC2=C(C=C1)OCO2)C=O

InChI

InChI=1S/C13H14O4S/c1-9(15)18-7-11(6-14)4-10-2-3-12-13(5-10)17-8-16-12/h2-3,5-6,11H,4,7-8H2,1H3