[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20O7S/c1-13(22)14-3-5-18(25-2)16(7-14)10-29-11-21(24)26-9-17(23)15-4-6-19-20(8-15)28-12-27-19/h3-8H,9-12H2,1-2H3