(Z)-2-[2-(2,2-dimethylpropanoylsulfanylmethyl)phenyl]-3-methoxy-prop-2-enoic acid

Systemtic Name: (Z)-2-[2-(2,2-dimethylpropanoylsulfanylmethyl)phenyl]-3-methoxy-prop-2-enoic acid Openeye Name: (Z)-2-[2-(2,2-dimethylpropanoylsulfanylmethyl)phenyl]-3-methoxy-prop-2-enoic acid CAS Name: (Z)-2-[2-[[(2,2-dimethyl-1-oxopropyl)thio]methyl]phenyl]-3-methoxy-2-propenoic acid IUPAC Name: (Z)-2-[2-(2,2-dimethylpropanoylsulfanylmethyl)phenyl]-3-methoxyprop-2-enoic acid Traditional Name: (Z)-3-methoxy-2-[2-[(pivaloylthio)methyl]phenyl]acrylic acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCC1=CC=CC=C1C(=COC)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)SCC1=CC=CC=C1/C(=C/OC)/C(=O)O

InChI

InChI=1S/C16H20O4S/c1-16(2,3)15(19)21-10-11-7-5-6-8-12(11)13(9-20-4)14(17)18/h5-9H,10H2,1-4H3,(H,17,18)/b13-9-