O-ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enethioate

Systemtic Name: O-ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enethioate Openeye Name: O-ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enethioate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenethioic acid O-ethyl ester IUPAC Name: O-ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enethioate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enethioic acid O-ethyl ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=S)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H12O3S/c1-2-13-12(16)6-4-9-3-5-10-11(7-9)15-8-14-10/h3-7H,2,8H2,1H3/b6-4+