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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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