2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-benzyl-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanoyl]amino]pentanedioic acid CAS Name: 2-[[1-oxo-2-[[(3-oxo-1H-isobenzofuran-1-yl)thio]methyl]-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-benzyl-3-(phthalidylthio)propanoyl]amino]glutaric acid Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H23NO7S/c25-19(26)11-10-18(21(28)29)24-20(27)15(12-14-6-2-1-3-7-14)13-32-23-17-9-5-4-8-16(17)22(30)31-23/h1-9,15,18,23H,10-13H2,(H,24,27)(H,25,26)(H,28,29)