2-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(2,4-dimethylphenyl)thio]acetyl]amino]terephthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C18H17NO5S/c1-10-3-6-15(11(2)7-10)25-9-16(20)19-14-8-12(17(21)22)4-5-13(14)18(23)24/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)