1,3-benzothiazol-2-ylmethyl 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(phenylmethylsulfanyl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO2S2/c19-17(12-21-11-13-6-2-1-3-7-13)20-10-16-18-14-8-4-5-9-15(14)22-16/h1-9H,10-12H2