2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-dimethyl-butanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-dimethyl-butanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-dimethyl-butanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-2,3-dimethylbutanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-dimethylbutanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-2,3-dimethyl-succinic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(C)(C(=O)O)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C(=O)O)C(C)(C(=O)O)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H13NO5S/c1-7(10(15)16)13(2,11(17)18)20-12-14-8-5-3-4-6-9(8)19-12/h3-7H,1-2H3,(H,15,16)(H,17,18)