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

Systemtic Name: 2-[(6-methoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(6-methoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(6-methoxy-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(6-methoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(6-methoxy-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(O2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(O2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO6S/c1-18-6-2-3-7-8(4-6)19-12(13-7)20-9(11(16)17)5-10(14)15/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)