O-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl] (4-fluorophenyl)methylsulfanylmethanethioate

Systemtic Name: O-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl] (4-fluorophenyl)methylsulfanylmethanethioate Openeye Name: O-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl] (4-fluorophenyl)methylsulfanylmethanethioate CAS Name: [(4-fluorophenyl)methylthio]methanethioic acid O-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl] ester IUPAC Name: O-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl] (4-fluorophenyl)methylsulfanylmethanethioate Traditional Name: [(4-fluorobenzyl)thio]methanethioic acid O-[2-(2-keto-1,3-benzothiazol-3-yl)ethyl] ester Formula: C17H14FNO2S3 MolecularWeight: 379.491963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCOC(=S)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCOC(=S)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FNO2S3/c18-13-7-5-12(6-8-13)11-23-17(22)21-10-9-19-14-3-1-2-4-15(14)24-16(19)20/h1-8H,9-11H2