diethyl 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)hexanedioate

Systemtic Name: diethyl 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)hexanedioate Openeye Name: diethyl 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)hexanedioate CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)hexanedioic acid diethyl ester IUPAC Name: diethyl 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)hexanedioate Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)adipic acid diethyl ester Formula: C24H24N2O6S2 MolecularWeight: 500.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC(=O)OCC)SC1=NC2=CC=CC=C2O1)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)CC(C(CC(=O)OCC)SC1=NC2=CC=CC=C2O1)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H24N2O6S2/c1-3-29-21(27)13-19(33-23-25-15-9-5-7-11-17(15)31-23)20(14-22(28)30-4-2)34-24-26-16-10-6-8-12-18(16)32-24/h5-12,19-20H,3-4,13-14H2,1-2H3