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

Systemtic Name: 5-[2-(1-phenylethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(1-phenylethylthio)acetyl]amino]isophthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-11(12-5-3-2-4-6-12)25-10-16(20)19-15-8-13(17(21)22)7-14(9-15)18(23)24/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)(H,23,24)