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

Systemtic Name: O1-ethyl O5-methyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-3-phenyl-pentanedioate Openeye Name: O1-ethyl O5-methyl (2S,3R)-2-[bis(methylsulfanyl)methyleneamino]-3-phenyl-pentanedioate CAS Name: (2S,3R)-2-[bis(methylthio)methylideneamino]-3-phenylpentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl (2S,3R)-2-[bis(methylsulfanyl)methylideneamino]-3-phenylpentanedioate Traditional Name: (2S,3R)-2-[bis(methylthio)methyleneamino]-3-phenyl-glutaric acid O1-ethyl ester O5-methyl ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S2/c1-5-22-16(20)15(18-17(23-3)24-4)13(11-14(19)21-2)12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3/t13-,15+/m1/s1