1,3-benzothiazol-2-ylmethyl 4-methylsulfanylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S2/c1-20-12-8-6-11(7-9-12)16(18)19-10-15-17-13-4-2-3-5-14(13)21-15/h2-9H,10H2,1H3