(phenylmethyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (phenylmethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: benzyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid benzyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO2S/c19-17(20-12-13-6-2-1-3-7-13)11-10-16-18-14-8-4-5-9-15(14)21-16/h1-9H,10-12H2