5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-5-methyl-4-(2-methylpropyl)oxolan-2-one hydrobromide

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-5-methyl-4-(2-methylpropyl)oxolan-2-one hydrobromide Openeye Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-isobutyl-5-methyl-tetrahydrofuran-2-one hydrobromide CAS Name: 5-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-5-methyl-4-(2-methylpropyl)-2-oxolanone hydrobromide IUPAC Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-5-methyl-4-(2-methylpropyl)oxolan-2-one hydrobromide Traditional Name: 5-[2-(1,3-benzothiazol-2-ylthio)acetyl]-4-isobutyl-5-methyl-tetrahydrofuran-2-one hydrobromide Formula: C18H22BrNO3S2 MolecularWeight: 444.40618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(=O)OC1(C)C(=O)CSC2=NC3=CC=CC=C3S2.Br

Isomeric SMILES

CC(C)CC1CC(=O)OC1(C)C(=O)CSC2=NC3=CC=CC=C3S2.Br

InChI

InChI=1S/C18H21NO3S2.BrH/c1-11(2)8-12-9-16(21)22-18(12,3)15(20)10-23-17-19-13-6-4-5-7-14(13)24-17;/h4-7,11-12H,8-10H2,1-3H3;1H