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

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

Systemtic Name:2-[(6-ethoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid
Openeye Name:2-[(6-ethoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid
CAS Name:2-[(6-ethoxy-1,3-benzoxazol-2-yl)thio]butanedioic acid
IUPAC Name:2-[(6-ethoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid
Traditional Name:2-[(6-ethoxy-1,3-benzoxazol-2-yl)thio]succinic acid
Formula: C13H13NO6S
MolecularWeight: 311.31042
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(O2)SC(CC(=O)O)C(=O)O


Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(O2)SC(CC(=O)O)C(=O)O


InChI

InChI=1S/C13H13NO6S/c1-2-19-7-3-4-8-9(5-7)20-13(14-8)21-10(12(17)18)6-11(15)16/h3-5,10H,2,6H2,1H3,(H,15,16)(H,17,18)


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