tert-butyl 5-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl 5-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoate Openeye Name: tert-butyl 3-(allyloxycarbonylamino)-5-[(2-chlorophenyl)methylsulfanyl]-4-oxo-pentanoate CAS Name: 5-[(2-chlorophenyl)methylthio]-4-oxo-3-[[oxo(prop-2-enoxy)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-chlorophenyl)methylsulfanyl]-4-oxo-3-(prop-2-enoxycarbonylamino)pentanoate Traditional Name: 3-(allyloxycarbonylamino)-5-[(2-chlorobenzyl)thio]-4-keto-valeric acid tert-butyl ester Formula: C20H26ClNO5S MolecularWeight: 427.94214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)CSCC1=CC=CC=C1Cl)NC(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)CSCC1=CC=CC=C1Cl)NC(=O)OCC=C

InChI

InChI=1S/C20H26ClNO5S/c1-5-10-26-19(25)22-16(11-18(24)27-20(2,3)4)17(23)13-28-12-14-8-6-7-9-15(14)21/h5-9,16H,1,10-13H2,2-4H3,(H,22,25)