2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(methylsulfanylmethyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(methylsulfanylmethyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-[(methylthio)methyl]benzoyl]amino]terephthalic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

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