5,6-dimethoxy-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxyphenyl)thio]-2-indolecarboxylic acid IUPAC Name: 5,6-dimethoxy-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxyphenyl)thio]indole-2-carboxylic acid Formula: C27H25NO8S MolecularWeight: 523.5543

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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)OC)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)OC)OCO5)C(=O)O

InChI

InChI=1S/C27H25NO8S/c1-31-16-6-5-7-17(10-16)37-26-18-11-20(32-2)21(33-3)12-19(18)28(24(26)27(29)30)13-15-8-22(34-4)25-23(9-15)35-14-36-25/h5-12H,13-14H2,1-4H3,(H,29,30)