O-propan-2-yl (2-oxidanylidene-1,3-benzothiazol-3-yl)methylsulfanylmethanethioate

Systemtic Name: O-propan-2-yl (2-oxidanylidene-1,3-benzothiazol-3-yl)methylsulfanylmethanethioate Openeye Name: O-isopropyl (2-oxo-1,3-benzothiazol-3-yl)methylsulfanylmethanethioate CAS Name: [(2-oxo-1,3-benzothiazol-3-yl)methylthio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl (2-oxo-1,3-benzothiazol-3-yl)methylsulfanylmethanethioate Traditional Name: [(2-keto-1,3-benzothiazol-3-yl)methylthio]methanethioic acid O-isopropyl ester Formula: C12H13NO2S3 MolecularWeight: 299.43212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCN1C2=CC=CC=C2SC1=O

Isomeric SMILES

CC(C)OC(=S)SCN1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C12H13NO2S3/c1-8(2)15-12(16)17-7-13-9-5-3-4-6-10(9)18-11(13)14/h3-6,8H,7H2,1-2H3