ethyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methylsulfanyl-furan-2-carboxylate

Systemtic Name: ethyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methylsulfanyl-furan-2-carboxylate Openeye Name: ethyl 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-methylsulfanyl-furan-2-carboxylate CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(methylthio)-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methylsulfanylfuran-2-carboxylate Traditional Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-(methylthio)furan-2-carboxylic acid ethyl ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(O1)SC)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C=C(O1)SC)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16O5S/c1-3-19-17(18)16-12(9-15(22-16)23-2)6-4-11-5-7-13-14(8-11)21-10-20-13/h4-9H,3,10H2,1-2H3/b6-4+