5-[2-(phenylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(phenylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-benzylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-benzylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(benzylthio)acetyl]amino]isophthalic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c19-15(10-24-9-11-4-2-1-3-5-11)18-14-7-12(16(20)21)6-13(8-14)17(22)23/h1-8H,9-10H2,(H,18,19)(H,20,21)(H,22,23)