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

Systemtic Name: S-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] ethanethioate Openeye Name: S-[(E)-3-(1,3-benzodioxol-5-yl)allyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] ester IUPAC Name: S-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-3-(1,3-benzodioxol-5-yl)allyl] ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3S/c1-9(13)16-6-2-3-10-4-5-11-12(7-10)15-8-14-11/h2-5,7H,6,8H2,1H3/b3-2+