dipropan-2-yl 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioate

Systemtic Name: dipropan-2-yl 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioate Openeye Name: diisopropyl 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioate CAS Name: 3-(1,3-benzothiazol-2-ylthio)pentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)glutaric acid diisopropyl ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(CC(=O)OC(C)C)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)OC(=O)CC(CC(=O)OC(C)C)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H23NO4S2/c1-11(2)22-16(20)9-13(10-17(21)23-12(3)4)24-18-19-14-7-5-6-8-15(14)25-18/h5-8,11-13H,9-10H2,1-4H3