2-[2-(4-methylphenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(p-tolylsulfanyl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-methylphenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-(p-tolylthio)acetyl]amino]terephthalic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-10-2-5-12(6-3-10)24-9-15(19)18-14-8-11(16(20)21)4-7-13(14)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)