tert-butyl 2-butylsulfanyl-5-[5-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanyl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-butylsulfanyl-5-[5-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanyl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(1-tert-butoxycarbonyl-5-butylsulfanyl-pyrrol-2-yl)sulfanyl-5-butylsulfanyl-pyrrole-1-carboxylate CAS Name: 2-(butylthio)-5-[[5-(butylthio)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolyl]thio]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-butylsulfanyl-5-[5-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanylpyrrole-1-carboxylate Traditional Name: 2-[[1-tert-butoxycarbonyl-5-(butylthio)pyrrol-2-yl]thio]-5-(butylthio)pyrrole-1-carboxylic acid tert-butyl ester Formula: C26H40N2O4S3 MolecularWeight: 540.8018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(N1C(=O)OC(C)(C)C)SC2=CC=C(N2C(=O)OC(C)(C)C)SCCCC

Isomeric SMILES

CCCCSC1=CC=C(N1C(=O)OC(C)(C)C)SC2=CC=C(N2C(=O)OC(C)(C)C)SCCCC

InChI

InChI=1S/C26H40N2O4S3/c1-9-11-17-33-19-13-15-21(27(19)23(29)31-25(3,4)5)35-22-16-14-20(34-18-12-10-2)28(22)24(30)32-26(6,7)8/h13-16H,9-12,17-18H2,1-8H3