2-[(5,6-dimethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5,6-dimethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5,6-dimethyl-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(5,6-dimethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5,6-dimethyl-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5S/c1-6-3-8-9(4-7(6)2)19-13(14-8)20-10(12(17)18)5-11(15)16/h3-4,10H,5H2,1-2H3,(H,15,16)(H,17,18)