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

Systemtic Name: tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methylsulfanylmethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1-tert-butoxycarbonylindol-3-yl)methylsulfanylmethyl]indole-1-carboxylate CAS Name: 3-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]methylthio]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methylsulfanylmethyl]indole-1-carboxylate Traditional Name: 3-[[(1-tert-butoxycarbonylindol-3-yl)methylthio]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CSCC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CSCC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H32N2O4S/c1-27(2,3)33-25(31)29-15-19(21-11-7-9-13-23(21)29)17-35-18-20-16-30(26(32)34-28(4,5)6)24-14-10-8-12-22(20)24/h7-16H,17-18H2,1-6H3