2-[(2-methylsulfanylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-methylsulfanylbenzoyl)amino]terephthalic acid CAS Name: 2-[[[2-(methylthio)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methylsulfanylbenzoyl)amino]terephthalic acid Traditional Name: 2-[[2-(methylthio)benzoyl]amino]terephthalic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO5S/c1-23-13-5-3-2-4-11(13)14(18)17-12-8-9(15(19)20)6-7-10(12)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)