methyl 4-benzo[g][1,3]benzothiazol-2-ylbutanoate

Systemtic Name: methyl 4-benzo[g][1,3]benzothiazol-2-ylbutanoate Openeye Name: methyl 4-benzo[g][1,3]benzothiazol-2-ylbutanoate CAS Name: 4-(2-benzo[g][1,3]benzothiazolyl)butanoic acid methyl ester IUPAC Name: methyl 4-benzo[g][1,3]benzothiazol-2-ylbutanoate Traditional Name: 4-benzo[g][1,3]benzothiazol-2-ylbutyric acid methyl ester Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=NC2=C(S1)C3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCCC1=NC2=C(S1)C3=CC=CC=C3C=C2

InChI

InChI=1S/C16H15NO2S/c1-19-15(18)8-4-7-14-17-13-10-9-11-5-2-3-6-12(11)16(13)20-14/h2-3,5-6,9-10H,4,7-8H2,1H3