5,6-dimethoxy-1-[(4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-[(4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-1-[(4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-1-[(4-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)thio]-2-indolecarboxylic acid IUPAC Name: 5,6-dimethoxy-1-[(4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-3-[(3-methoxyphenyl)thio]-1-p-anisyl-indole-2-carboxylic acid Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC(=C(C=C3C(=C2C(=O)O)SC4=CC=CC(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC(=C(C=C3C(=C2C(=O)O)SC4=CC=CC(=C4)OC)OC)OC

InChI

InChI=1S/C26H25NO6S/c1-30-17-10-8-16(9-11-17)15-27-21-14-23(33-4)22(32-3)13-20(21)25(24(27)26(28)29)34-19-7-5-6-18(12-19)31-2/h5-14H,15H2,1-4H3,(H,28,29)