2-[[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[5-[dimethylamino(oxo)methyl]-1,3-benzoxazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]thio]succinic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC2=C(C=C1)OC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC2=C(C=C1)OC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O6S/c1-16(2)12(19)7-3-4-9-8(5-7)15-14(22-9)23-10(13(20)21)6-11(17)18/h3-5,10H,6H2,1-2H3,(H,17,18)(H,20,21)