3-tert-butylsulfanyl-1-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-5-prop-2-enoxy-indole-2-carboxylic acid

Systemtic Name: 3-tert-butylsulfanyl-1-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-5-prop-2-enoxy-indole-2-carboxylic acid Openeye Name: 5-allyloxy-3-tert-butylsulfanyl-1-[[3-(4-methoxytetrahydropyran-4-yl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(tert-butylthio)-1-[[3-(4-methoxy-4-oxanyl)phenyl]methyl]-5-prop-2-enoxy-2-indolecarboxylic acid IUPAC Name: 3-tert-butylsulfanyl-1-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-5-prop-2-enoxyindole-2-carboxylic acid Traditional Name: 5-allyloxy-3-(tert-butylthio)-1-[3-(4-methoxytetrahydropyran-4-yl)benzyl]indole-2-carboxylic acid Formula: C29H35NO5S MolecularWeight: 509.6569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC=C)CC3=CC=CC(=C3)C4(CCOCC4)OC)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC=C)CC3=CC=CC(=C3)C4(CCOCC4)OC)C(=O)O

InChI

InChI=1S/C29H35NO5S/c1-6-14-35-22-10-11-24-23(18-22)26(36-28(2,3)4)25(27(31)32)30(24)19-20-8-7-9-21(17-20)29(33-5)12-15-34-16-13-29/h6-11,17-18H,1,12-16,19H2,2-5H3,(H,31,32)