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

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-4-ethyl-5-methyl-oxolan-2-one Openeye Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-ethyl-5-methyl-tetrahydrofuran-2-one CAS Name: 5-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-4-ethyl-5-methyl-2-oxolanone IUPAC Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-ethyl-5-methyloxolan-2-one Traditional Name: 5-[2-(1,3-benzothiazol-2-ylthio)acetyl]-4-ethyl-5-methyl-tetrahydrofuran-2-one Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)OC1(C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1CC(=O)OC1(C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H17NO3S2/c1-3-10-8-14(19)20-16(10,2)13(18)9-21-15-17-11-6-4-5-7-12(11)22-15/h4-7,10H,3,8-9H2,1-2H3