3-(4-methoxyphenyl)-1-[(6-methyl-2,1,3-benzothiadiazol-5-yl)methyl]-5-propoxy-indole-2-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2,1,3-benzothiadiazol-5-yl)methyl]-5-propoxy-indole-2-carboxylic acid Openeye Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2,1,3-benzothiadiazol-5-yl)methyl]-5-propoxy-indole-2-carboxylic acid CAS Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2,1,3-benzothiadiazol-5-yl)methyl]-5-propoxy-2-indolecarboxylic acid IUPAC Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2,1,3-benzothiadiazol-5-yl)methyl]-5-propoxyindole-2-carboxylic acid Traditional Name: 3-(4-methoxyphenyl)-1-[(6-methylpiazthiol-5-yl)methyl]-5-propoxy-indole-2-carboxylic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)OC)C(=O)O)CC4=CC5=NSN=C5C=C4C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)OC)C(=O)O)CC4=CC5=NSN=C5C=C4C

InChI

InChI=1S/C27H25N3O4S/c1-4-11-34-20-9-10-24-21(14-20)25(17-5-7-19(33-3)8-6-17)26(27(31)32)30(24)15-18-13-23-22(12-16(18)2)28-35-29-23/h5-10,12-14H,4,11,15H2,1-3H3,(H,31,32)