5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-5-methyl-oxolan-2-one hydrobromide

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-5-methyl-oxolan-2-one hydrobromide Openeye Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-5-methyl-tetrahydrofuran-2-one hydrobromide CAS Name: 5-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-5-methyl-2-oxolanone hydrobromide IUPAC Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-5-methyloxolan-2-one hydrobromide Traditional Name: 5-[2-(1,3-benzothiazol-2-ylthio)acetyl]-5-methyl-tetrahydrofuran-2-one hydrobromide Formula: C14H14BrNO3S2 MolecularWeight: 388.29986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3S2.Br

Isomeric SMILES

CC1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3S2.Br

InChI

InChI=1S/C14H13NO3S2.BrH/c1-14(7-6-12(17)18-14)11(16)8-19-13-15-9-4-2-3-5-10(9)20-13;/h2-5H,6-8H2,1H3;1H