ethyl (2S,3E)-2-[hexylsulfanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hepta-3,6-dienoate

Systemtic Name: ethyl (2S,3E)-2-[hexylsulfanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hepta-3,6-dienoate Openeye Name: ethyl (2S,3E)-2-[tert-butoxycarbonyl(hexylsulfanyl)amino]hepta-3,6-dienoate CAS Name: (2S,3E)-2-[(hexylthio)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hepta-3,6-dienoic acid ethyl ester IUPAC Name: ethyl (2S,3E)-2-[hexylsulfanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hepta-3,6-dienoate Traditional Name: (2S,3E)-2-[tert-butoxycarbonyl-(hexylthio)amino]hepta-3,6-dienoic acid ethyl ester Formula: C20H35NO4S MolecularWeight: 385.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSN(C(C=CCC=C)C(=O)OCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCSN([C@@H](/C=C/CC=C)C(=O)OCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H35NO4S/c1-7-10-12-14-16-26-21(19(23)25-20(4,5)6)17(15-13-11-8-2)18(22)24-9-3/h8,13,15,17H,2,7,9-12,14,16H2,1,3-6H3/b15-13+/t17-/m0/s1