5-(2-phenylsulfanylethanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-phenylsulfanylethanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-phenylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-oxo-2-(phenylthio)ethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-phenylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(phenylthio)acetyl]amino]isophthalic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c18-14(9-23-13-4-2-1-3-5-13)17-12-7-10(15(19)20)6-11(8-12)16(21)22/h1-8H,9H2,(H,17,18)(H,19,20)(H,21,22)