O4-(1,3-benzoxazol-2-ylsulfanyl) O1-ethyl butanedioate

Systemtic Name: O4-(1,3-benzoxazol-2-ylsulfanyl) O1-ethyl butanedioate Openeye Name: O4-(1,3-benzoxazol-2-ylsulfanyl) O1-ethyl butanedioate CAS Name: butanedioic acid O4-(1,3-benzoxazol-2-ylthio) ester O1-ethyl ester IUPAC Name: 4-O-(1,3-benzoxazol-2-ylsulfanyl) 1-O-ethyl butanedioate Traditional Name: succinic acid O4-(1,3-benzoxazol-2-ylthio) ester O1-ethyl ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2O1

InChI

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