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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-[(3-methoxyphenyl)thio]-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-3-[(3-methoxyphenyl)thio]-1-piperonyl-indole-2-carboxylic acid Formula: C26H23NO7S MolecularWeight: 493.52832

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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=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H23NO7S/c1-30-16-5-4-6-17(10-16)35-25-18-11-21(31-2)22(32-3)12-19(18)27(24(25)26(28)29)13-15-7-8-20-23(9-15)34-14-33-20/h4-12H,13-14H2,1-3H3,(H,28,29)