diethyl 2-(1,3-benzothiazol-2-ylsulfanyl)heptanedioate

Systemtic Name: diethyl 2-(1,3-benzothiazol-2-ylsulfanyl)heptanedioate Openeye Name: diethyl 2-(1,3-benzothiazol-2-ylsulfanyl)heptanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)heptanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,3-benzothiazol-2-ylsulfanyl)heptanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)pimelic acid diethyl ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C(=O)OCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)CCCCC(C(=O)OCC)SC1=NC2=CC=CC=C2S1

InChI

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