methyl 4-[4-(4-methoxycarbonylphenyl)-2,1,3-benzothiadiazol-7-yl]benzoate

Systemtic Name: methyl 4-[4-(4-methoxycarbonylphenyl)-2,1,3-benzothiadiazol-7-yl]benzoate Openeye Name: methyl 4-[4-(4-methoxycarbonylphenyl)-2,1,3-benzothiadiazol-7-yl]benzoate CAS Name: 4-[4-(4-methoxycarbonylphenyl)-2,1,3-benzothiadiazol-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxycarbonylphenyl)-2,1,3-benzothiadiazol-7-yl]benzoate Traditional Name: 4-[7-(4-carbomethoxyphenyl)piazthiol-4-yl]benzoic acid methyl ester Formula: C22H16N2O4S MolecularWeight: 404.43844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C3=NSN=C23)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C3=NSN=C23)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H16N2O4S/c1-27-21(25)15-7-3-13(4-8-15)17-11-12-18(20-19(17)23-29-24-20)14-5-9-16(10-6-14)22(26)28-2/h3-12H,1-2H3