[(E)-C-[3-(3-ethoxy-2-sulfanyl-butanoyl)oxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 3-ethoxy-2-sulfanyl-butanoate

Systemtic Name: [(E)-C-[3-(3-ethoxy-2-sulfanyl-butanoyl)oxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 3-ethoxy-2-sulfanyl-butanoate Openeye Name: [(E)-C-[3-(3-ethoxy-2-sulfanyl-butanoyl)oxy-3-oxo-propyl]-N-hydroxy-carbonimidoyl] 3-ethoxy-2-sulfanyl-butanoate CAS Name: 3-ethoxy-2-mercaptobutanoic acid [(1E)-4-(3-ethoxy-2-mercapto-1-oxobutoxy)-1-hydroxyimino-4-oxobutyl] ester IUPAC Name: [(E)-C-[3-(3-ethoxy-2-sulfanylbutanoyl)oxy-3-oxopropyl]-N-hydroxycarbonimidoyl] 3-ethoxy-2-sulfanylbutanoate Traditional Name: 3-ethoxy-2-mercapto-butyric acid [4-(3-ethoxy-2-mercapto-butanoyl)oxy-4-keto-butanehydroximoyl] ester Formula: C16H27NO8S2 MolecularWeight: 425.51748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C(=O)OC(=NO)CCC(=O)OC(=O)C(C(C)OCC)S)S

Isomeric SMILES

CCOC(C)C(C(=O)O/C(=N/O)/CCC(=O)OC(=O)C(C(C)OCC)S)S

InChI

InChI=1S/C16H27NO8S2/c1-5-22-9(3)13(26)15(19)24-11(17-21)7-8-12(18)25-16(20)14(27)10(4)23-6-2/h9-10,13-14,21,26-27H,5-8H2,1-4H3/b17-11+