O-butyl [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylsulfanylmethanethioate

Systemtic Name: O-butyl [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylsulfanylmethanethioate Openeye Name: O-butyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methylsulfanylmethanethioate CAS Name: [(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylthio]methanethioic acid O-butyl ester IUPAC Name: O-butyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methylsulfanylmethanethioate Traditional Name: [(1,1,3-triketo-1,2-benzothiazol-2-yl)methylthio]methanethioic acid O-butyl ester Formula: C13H15NO4S3 MolecularWeight: 345.4575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCOC(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H15NO4S3/c1-2-3-8-18-13(19)20-9-14-12(15)10-6-4-5-7-11(10)21(14,16)17/h4-7H,2-3,8-9H2,1H3