butyl 1,2,3-benzothiadiazole-7-carboxylate

Systemtic Name: butyl 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: butyl 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid butyl ester IUPAC Name: butyl 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid butyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC=C1)N=NS2

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC=C1)N=NS2

InChI

InChI=1S/C11H12N2O2S/c1-2-3-7-15-11(14)8-5-4-6-9-10(8)16-13-12-9/h4-6H,2-3,7H2,1H3