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

Systemtic Name: O-propyl [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylsulfanylmethanethioate Openeye Name: O-propyl (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-propyl ester IUPAC Name: O-propyl (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-propyl ester Formula: C12H13NO4S3 MolecularWeight: 331.43092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S3/c1-2-7-17-12(18)19-8-13-11(14)9-5-3-4-6-10(9)20(13,15)16/h3-6H,2,7-8H2,1H3