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

Systemtic Name: pentyl 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: pentyl 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid pentyl ester IUPAC Name: pentyl 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid amyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-2-3-4-8-16-12(15)9-6-5-7-10-11(9)17-14-13-10/h5-7H,2-4,8H2,1H3