2-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]terephthalic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC)OC

InChI

InChI=1S/C20H21NO7S/c1-11-6-16(27-2)17(28-3)8-13(11)9-29-10-18(22)21-15-7-12(19(23)24)4-5-14(15)20(25)26/h4-8H,9-10H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)