tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanyl-indol-3-yl]methyl]-5-methylsulfanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanyl-indol-3-yl]methyl]-5-methylsulfanyl-indole-1-carboxylate Openeye Name: tert-butyl 3-[(1-tert-butoxycarbonyl-5-methylsulfanyl-indol-3-yl)methyl]-5-methylsulfanyl-indole-1-carboxylate CAS Name: 3-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-(methylthio)-3-indolyl]methyl]-5-(methylthio)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanylindol-3-yl]methyl]-5-methylsulfanylindole-1-carboxylate Traditional Name: 3-[[1-tert-butoxycarbonyl-5-(methylthio)indol-3-yl]methyl]-5-(methylthio)indole-1-carboxylic acid tert-butyl ester Formula: C29H34N2O4S2 MolecularWeight: 538.72126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)SC)CC3=CN(C4=C3C=C(C=C4)SC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)SC)CC3=CN(C4=C3C=C(C=C4)SC)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N2O4S2/c1-28(2,3)34-26(32)30-16-18(22-14-20(36-7)9-11-24(22)30)13-19-17-31(27(33)35-29(4,5)6)25-12-10-21(37-8)15-23(19)25/h9-12,14-17H,13H2,1-8H3