5-[[(2R)-2-(phenylmethylsulfanyl)propanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[(2R)-2-(phenylmethylsulfanyl)propanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2R)-1-oxo-2-(phenylmethylthio)propyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2R)-2-(benzylthio)propanoyl]amino]isophthalate Formula: C18H15NO5S-2 MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C18H17NO5S/c1-11(25-10-12-5-3-2-4-6-12)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)/p-2/t11-/m1/s1