2-[[6-(methylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[6-(methylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[6-(methylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[6-(methylamino)-1,3-benzoxazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[6-(methylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[6-(methylamino)-1,3-benzoxazol-2-yl]thio]succinic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)N=C(O2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)N=C(O2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O5S/c1-13-6-2-3-7-8(4-6)19-12(14-7)20-9(11(17)18)5-10(15)16/h2-4,9,13H,5H2,1H3,(H,15,16)(H,17,18)