[(E)-2-phenylbut-2-enyl] 1,2,3-benzothiadiazole-7-carboxylate

Systemtic Name: [(E)-2-phenylbut-2-enyl] 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: [(E)-2-phenylbut-2-enyl] 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid [(E)-2-phenylbut-2-enyl] ester IUPAC Name: [(E)-2-phenylbut-2-enyl] 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid [(E)-2-phenylbut-2-enyl] ester Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(COC(=O)C1=C2C(=CC=C1)N=NS2)C3=CC=CC=C3

Isomeric SMILES

C/C=C(/COC(=O)C1=C2C(=CC=C1)N=NS2)\C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O2S/c1-2-12(13-7-4-3-5-8-13)11-21-17(20)14-9-6-10-15-16(14)22-19-18-15/h2-10H,11H2,1H3/b12-2-