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

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-3-butyl-5-methyl-oxolan-2-one Openeye Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-butyl-5-methyl-tetrahydrofuran-2-one CAS Name: 5-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-3-butyl-5-methyl-2-oxolanone IUPAC Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-butyl-5-methyloxolan-2-one Traditional Name: 5-[2-(1,3-benzothiazol-2-ylthio)acetyl]-3-butyl-5-methyl-tetrahydrofuran-2-one Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1CC(OC1=O)(C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H21NO3S2/c1-3-4-7-12-10-18(2,22-16(12)21)15(20)11-23-17-19-13-8-5-6-9-14(13)24-17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3