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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-3-methylbutanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-methylbutanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-3-methyl-succinic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5S/c1-6(10(14)15)9(11(16)17)19-12-13-7-4-2-3-5-8(7)18-12/h2-6,9H,1H3,(H,14,15)(H,16,17)