2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]terephthalic acid CAS Name: 2-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]terephthalic acid Traditional Name: 2-[[2-methoxy-4-(methylthio)benzoyl]amino]terephthalic acid Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15NO6S/c1-24-14-8-10(25-2)4-6-12(14)15(19)18-13-7-9(16(20)21)3-5-11(13)17(22)23/h3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23)