dibutyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate

Systemtic Name: dibutyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate Openeye Name: dibutyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)butanedioic acid dibutyl ester IUPAC Name: dibutyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)succinic acid dibutyl ester Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(=O)OCCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCOC(=O)CC(C(=O)OCCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H25NO4S2/c1-3-5-11-23-17(21)13-16(18(22)24-12-6-4-2)26-19-20-14-9-7-8-10-15(14)25-19/h7-10,16H,3-6,11-13H2,1-2H3