methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid methyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H13NO2S/c1-15-12(14)8-4-7-11-13-9-5-2-3-6-10(9)16-11/h2-3,5-6H,4,7-8H2,1H3