1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-ethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid

Systemtic Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-ethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid Openeye Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-ethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-ethoxy-3-(4-methoxyphenyl)-2-indolecarboxylic acid IUPAC Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-ethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid Traditional Name: 5-ethoxy-3-(4-methoxyphenyl)-1-(piazthiol-5-ylmethyl)indole-2-carboxylic acid Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)OC)C(=O)O)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)OC)C(=O)O)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C25H21N3O4S/c1-3-32-18-9-11-22-19(13-18)23(16-5-7-17(31-2)8-6-16)24(25(29)30)28(22)14-15-4-10-20-21(12-15)27-33-26-20/h4-13H,3,14H2,1-2H3,(H,29,30)