O1-tert-butyl O5-methyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-3-phenyl-pentanedioate

Systemtic Name: O1-tert-butyl O5-methyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-3-phenyl-pentanedioate Openeye Name: O1-tert-butyl O5-methyl (2S,3R)-2-[bis(methylsulfanyl)methyleneamino]-3-phenyl-pentanedioate CAS Name: (2S,3R)-2-[bis(methylthio)methylideneamino]-3-phenylpentanedioic acid O1-tert-butyl ester O5-methyl ester IUPAC Name: 1-O-tert-butyl 5-O-methyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-3-phenylpentanedioate Traditional Name: (2S,3R)-2-[bis(methylthio)methyleneamino]-3-phenyl-glutaric acid O1-tert-butyl ester O5-methyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S2/c1-19(2,3)24-17(22)16(20-18(25-5)26-6)14(12-15(21)23-4)13-10-8-7-9-11-13/h7-11,14,16H,12H2,1-6H3/t14-,16+/m1/s1