[(E)-4-phenylbut-3-enyl] 1,2,3-benzothiadiazole-7-carboxylate

Systemtic Name: [(E)-4-phenylbut-3-enyl] 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: [(E)-4-phenylbut-3-enyl] 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid [(E)-4-phenylbut-3-enyl] ester IUPAC Name: [(E)-4-phenylbut-3-enyl] 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid [(E)-4-phenylbut-3-enyl] ester Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCCOC(=O)C2=C3C(=CC=C2)N=NS3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CCOC(=O)C2=C3C(=CC=C2)N=NS3

InChI

InChI=1S/C17H14N2O2S/c20-17(14-10-6-11-15-16(14)22-19-18-15)21-12-5-4-9-13-7-2-1-3-8-13/h1-4,6-11H,5,12H2/b9-4+