[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18O5S/c1-25-15-6-4-14(5-7-15)16(20)11-22-19(21)9-3-13-2-8-17-18(10-13)24-12-23-17/h2,4-8,10H,3,9,11-12H2,1H3