5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-6-carboxylic acid

Systemtic Name: 5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-6-carboxylic acid Openeye Name: 5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-6-carboxylic acid CAS Name: 5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-6-carboxylic acid IUPAC Name: 5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-6-carboxylic acid Traditional Name: 5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-6-carboxylic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C(C2C(=O)O)C4=CC=C(C=C4)OC)SN=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C(C2C(=O)O)C4=CC=C(C=C4)OC)SN=N3

InChI

InChI=1S/C21H20N2O4S/c1-26-14-7-3-12(4-8-14)16-11-17-20(28-23-22-17)18(19(16)21(24)25)13-5-9-15(27-2)10-6-13/h3-10,16,18-19H,11H2,1-2H3,(H,24,25)