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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

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