3-(2,1,3-benzothiadiazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-propoxy-indole-2-carboxylic acid

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-propoxy-indole-2-carboxylic acid Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-propoxy-indole-2-carboxylic acid CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-propoxy-2-indolecarboxylic acid IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-propoxyindole-2-carboxylic acid Traditional Name: 1-p-anisyl-3-piazthiol-5-yl-5-propoxy-indole-2-carboxylic acid Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=NSN=C4C=C3)C(=O)O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=NSN=C4C=C3)C(=O)O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H23N3O4S/c1-3-12-33-19-9-11-23-20(14-19)24(17-6-10-21-22(13-17)28-34-27-21)25(26(30)31)29(23)15-16-4-7-18(32-2)8-5-16/h4-11,13-14H,3,12,15H2,1-2H3,(H,30,31)