1,3-benzothiazol-2-ylmethyl 3-phenylpropanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-phenylpropanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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