S-(3-ethanoyl-5-oxidanylidene-4H-6,1,3-benzothiadiazocin-2-yl) ethanethioate

Systemtic Name: S-(3-ethanoyl-5-oxidanylidene-4H-6,1,3-benzothiadiazocin-2-yl) ethanethioate Openeye Name: S-(3-acetyl-5-oxo-4H-6,1,3-benzothiadiazocin-2-yl) ethanethioate CAS Name: ethanethioic acid S-(3-acetyl-5-oxo-4H-6,1,3-benzothiadiazocin-2-yl) ester IUPAC Name: S-(3-acetyl-5-oxo-4H-6,1,3-benzothiadiazocin-2-yl) ethanethioate Traditional Name: ethanethioic acid S-(3-acetyl-5-keto-4H-6,1,3-benzothiadiazocin-2-yl) ester Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)SC2=CC=CC=C2N=C1SC(=O)C

Isomeric SMILES

CC(=O)N1CC(=O)SC2=CC=CC=C2N=C1SC(=O)C

InChI

InChI=1S/C13H12N2O3S2/c1-8(16)15-7-12(18)20-11-6-4-3-5-10(11)14-13(15)19-9(2)17/h3-6H,7H2,1-2H3