S-[(Z)-3-(1,3-benzodioxol-5-yl)-2-methanoyl-prop-2-enyl] ethanethioate

Systemtic Name: S-[(Z)-3-(1,3-benzodioxol-5-yl)-2-methanoyl-prop-2-enyl] ethanethioate Openeye Name: S-[(Z)-3-(1,3-benzodioxol-5-yl)-2-formyl-allyl] ethanethioate CAS Name: ethanethioic acid S-[(Z)-3-(1,3-benzodioxol-5-yl)-2-formylprop-2-enyl] ester IUPAC Name: S-[(Z)-3-(1,3-benzodioxol-5-yl)-2-formylprop-2-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(Z)-3-(1,3-benzodioxol-5-yl)-2-formyl-allyl] ester Formula: C13H12O4S MolecularWeight: 264.29698

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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)SC/C(=C\C1=CC2=C(C=C1)OCO2)/C=O

InChI

InChI=1S/C13H12O4S/c1-9(15)18-7-11(6-14)4-10-2-3-12-13(5-10)17-8-16-12/h2-6H,7-8H2,1H3/b11-4-