[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

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