2-(4-phenylsulfanylbutanoylamino)terephthalic acid

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)terephthalic acid Openeye Name: 2-(4-phenylsulfanylbutanoylamino)terephthalic acid CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]terephthalic acid IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)terephthalic acid Traditional Name: 2-[4-(phenylthio)butanoylamino]terephthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c20-16(7-4-10-25-13-5-2-1-3-6-13)19-15-11-12(17(21)22)8-9-14(15)18(23)24/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)(H,21,22)(H,23,24)