2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-2-oxo-ethyl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxopropan-2-yl]thio]-3-methylbutanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(2-keto-2-methoxy-1-piperonyl-ethyl)thio]-3-methyl-butyric acid Formula: C16H20O6S MolecularWeight: 340.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC(CC1=CC2=C(C=C1)OCO2)C(=O)OC

Isomeric SMILES

CC(C)C(C(=O)O)SC(CC1=CC2=C(C=C1)OCO2)C(=O)OC

InChI

InChI=1S/C16H20O6S/c1-9(2)14(15(17)18)23-13(16(19)20-3)7-10-4-5-11-12(6-10)22-8-21-11/h4-6,9,13-14H,7-8H2,1-3H3,(H,17,18)