2-(1,3-benzoxazol-2-ylsulfanyl)-2-chloranyl-pentanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2-chloranyl-pentanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2-chloro-pentanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-2-chloropentanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropentanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-2-chloro-glutaric acid Formula: C12H10ClNO5S MolecularWeight: 315.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(CCC(=O)O)(C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC(CCC(=O)O)(C(=O)O)Cl

InChI

InChI=1S/C12H10ClNO5S/c13-12(10(17)18,6-5-9(15)16)20-11-14-7-3-1-2-4-8(7)19-11/h1-4H,5-6H2,(H,15,16)(H,17,18)