methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[4-(methylthio)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-[4-(methylthio)phenyl]butyric acid methyl ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C1=CC=C(C=C1)SC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C(CC(=O)C1=CC=C(C=C1)SC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18O5S/c1-22-19(21)15(13-5-8-17-18(9-13)24-11-23-17)10-16(20)12-3-6-14(25-2)7-4-12/h3-9,15H,10-11H2,1-2H3