(Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(methylthio)phenyl]-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[4-(methylthio)phenyl]-2-piperonyl-but-2-enoic acid Formula: C19H16O5S MolecularWeight: 356.39234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C=C(CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)/C=C(/CC2=CC3=C(C=C2)OCO3)\C(=O)O

InChI

InChI=1S/C19H16O5S/c1-25-15-5-3-13(4-6-15)16(20)10-14(19(21)22)8-12-2-7-17-18(9-12)24-11-23-17/h2-7,9-10H,8,11H2,1H3,(H,21,22)/b14-10-