tert-butyl 4-[[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyloxymethyl]benzoate

Systemtic Name: tert-butyl 4-[[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyloxymethyl]benzoate Openeye Name: tert-butyl 4-[[2-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylamino]-1-methyl-2-oxo-ethyl]carbamoyloxymethyl]benzoate CAS Name: 4-[[[[1-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-1-oxopropan-2-yl]amino]-oxomethoxy]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-1-oxopropan-2-yl]carbamoyloxymethyl]benzoate Traditional Name: 4-[[2-[1-[2-(2-furfurylthio)acetyl]pentylamino]-2-keto-1-methyl-ethyl]carbamoyloxymethyl]benzoic acid tert-butyl ester Formula: C28H38N2O7S MolecularWeight: 546.67552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(C)NC(=O)OCC2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(C)NC(=O)OCC2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N2O7S/c1-6-7-10-23(24(31)18-38-17-22-9-8-15-35-22)30-25(32)19(2)29-27(34)36-16-20-11-13-21(14-12-20)26(33)37-28(3,4)5/h8-9,11-15,19,23H,6-7,10,16-18H2,1-5H3,(H,29,34)(H,30,32)