1,3-benzothiazol-2-ylmethyl 4-(methylsulfanylmethyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(methylsulfanylmethyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(methylsulfanylmethyl)benzoate CAS Name: 4-[(methylthio)methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(methylsulfanylmethyl)benzoate Traditional Name: 4-[(methylthio)methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO2S2/c1-21-11-12-6-8-13(9-7-12)17(19)20-10-16-18-14-4-2-3-5-15(14)22-16/h2-9H,10-11H2,1H3