2-ethyl-3-[(4-methoxy-6-oxidanyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-ethyl-3-[(4-methoxy-6-oxidanyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-ethyl-3-[(6-hydroxy-4-methoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-ethyl-3-[(6-hydroxy-4-methoxy-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-ethyl-3-[(6-hydroxy-4-methoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-ethyl-3-[(6-hydroxy-4-methoxy-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)O)SC1=NC2=C(C=C(C=C2O1)O)OC)C(=O)O

Isomeric SMILES

CCC(C(C(=O)O)SC1=NC2=C(C=C(C=C2O1)O)OC)C(=O)O

InChI

InChI=1S/C14H15NO7S/c1-3-7(12(17)18)11(13(19)20)23-14-15-10-8(21-2)4-6(16)5-9(10)22-14/h4-5,7,11,16H,3H2,1-2H3,(H,17,18)(H,19,20)