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

Systemtic Name: 1-phenylpropyl 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: 1-phenylpropyl 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid 1-phenylpropyl ester IUPAC Name: 1-phenylpropyl 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid 1-phenylpropyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)OC(=O)C2=C3C(=CC=C2)N=NS3

Isomeric SMILES

CCC(C1=CC=CC=C1)OC(=O)C2=C3C(=CC=C2)N=NS3

InChI

InChI=1S/C16H14N2O2S/c1-2-14(11-7-4-3-5-8-11)20-16(19)12-9-6-10-13-15(12)21-18-17-13/h3-10,14H,2H2,1H3