ethyl 2-(1,2,3-benzothiadiazol-5-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,2,3-benzothiadiazol-5-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,2,3-benzothiadiazole-5-carbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,2,3-benzothiadiazol-5-yl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,2,3-benzothiadiazole-5-carbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1,2,3-benzothiadiazole-5-carbonylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)SN=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C20H15N3O3S2/c1-2-26-20(25)17-14(12-6-4-3-5-7-12)11-27-19(17)21-18(24)13-8-9-16-15(10-13)22-23-28-16/h3-11H,2H2,1H3,(H,21,24)