methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-5-(4-chlorophenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylamino)-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 3-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-5-(4-chlorophenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylamino)-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-(piazthiole-5-carbonylamino)thiophene-2-carboxylic acid methyl ester Formula: C19H12ClN3O3S2 MolecularWeight: 429.89988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H12ClN3O3S2/c1-26-19(25)17-15(9-16(27-17)10-2-5-12(20)6-3-10)21-18(24)11-4-7-13-14(8-11)23-28-22-13/h2-9H,1H3,(H,21,24)