5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-3-[(3-methoxyphenyl)thio]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 1-benzyl-5,6-dimethoxy-3-[(3-methoxyphenyl)thio]indole-2-carboxylic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO5S/c1-29-17-10-7-11-18(12-17)32-24-19-13-21(30-2)22(31-3)14-20(19)26(23(24)25(27)28)15-16-8-5-4-6-9-16/h4-14H,15H2,1-3H3,(H,27,28)