methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid methyl ester IUPAC Name: methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO2S/c1-16-13(15)9-5-4-8-12-14-10-6-2-3-7-11(10)17-12/h2-3,6-7H,4-5,8-9H2,1H3