O-propan-2-yl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanylmethanethioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C)OC(=S)SCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H15NO4S3/c1-9(2)18-13(19)20-8-7-14-12(15)10-5-3-4-6-11(10)21(14,16)17/h3-6,9H,7-8H2,1-2H3