S-(phenylmethyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate

Systemtic Name: S-(phenylmethyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate Openeye Name: S-benzyl 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)ethanethioic acid S-benzyl ester Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C16H13NO2S2/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2