tert-butyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-5-oxidanylidene-3-phenyl-hexanoate

Systemtic Name: tert-butyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-5-oxidanylidene-3-phenyl-hexanoate Openeye Name: tert-butyl (2S,3R)-2-[bis(methylsulfanyl)methyleneamino]-5-oxo-3-phenyl-hexanoate CAS Name: (2S,3R)-2-[bis(methylthio)methylideneamino]-5-oxo-3-phenylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-5-oxo-3-phenylhexanoate Traditional Name: (2S,3R)-2-[bis(methylthio)methyleneamino]-5-keto-3-phenyl-hexanoic acid tert-butyl ester Formula: C19H27NO3S2 MolecularWeight: 381.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C(C(=O)OC(C)(C)C)N=C(SC)SC

Isomeric SMILES

CC(=O)C[C@H](C1=CC=CC=C1)[C@@H](C(=O)OC(C)(C)C)N=C(SC)SC

InChI

InChI=1S/C19H27NO3S2/c1-13(21)12-15(14-10-8-7-9-11-14)16(20-18(24-5)25-6)17(22)23-19(2,3)4/h7-11,15-16H,12H2,1-6H3/t15-,16+/m1/s1