2-(1,3-benzothiazol-2-ylsulfanyl)ethyl 6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl 6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate CAS Name: 6-(2,5-dioxo-1-pyrrolyl)hexanoic acid 2-(1,3-benzothiazol-2-ylthio)ethyl ester IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate Traditional Name: 6-maleimidohexanoic acid 2-(1,3-benzothiazol-2-ylthio)ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCOC(=O)CCCCCN3C(=O)C=CC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCOC(=O)CCCCCN3C(=O)C=CC3=O

InChI

InChI=1S/C19H20N2O4S2/c22-16-9-10-17(23)21(16)11-5-1-2-8-18(24)25-12-13-26-19-20-14-6-3-4-7-15(14)27-19/h3-4,6-7,9-10H,1-2,5,8,11-13H2