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

Systemtic Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO5S/c1-6-2-3-8-7(4-6)13-12(18-8)19-9(11(16)17)5-10(14)15/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)