dipropyl 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioate

Systemtic Name: dipropyl 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioate Openeye Name: dipropyl 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioate CAS Name: 2-(1,3-benzoxazol-2-ylthio)heptanedioic acid dipropyl ester IUPAC Name: dipropyl 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)pimelic acid dipropyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCCCC(C(=O)OCCC)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCOC(=O)CCCCC(C(=O)OCCC)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C20H27NO5S/c1-3-13-24-18(22)12-8-7-11-17(19(23)25-14-4-2)27-20-21-15-9-5-6-10-16(15)26-20/h5-6,9-10,17H,3-4,7-8,11-14H2,1-2H3