ethyl (4Z)-4-hydroxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (4Z)-4-hydroxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (4Z)-1-[(2S,4S)-1-allyloxycarbonyl-4-sulfanyl-pyrrolidine-2-carbonyl]-4-hydroxyimino-piperidine-3-carboxylate CAS Name: (4Z)-4-hydroxyimino-1-[[(2S,4S)-4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-4-hydroxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidine-2-carbonyl]piperidine-3-carboxylate Traditional Name: (4Z)-1-[(2S,4S)-1-allyloxycarbonyl-4-mercapto-prolyl]-4-hydroximino-nipecotic acid ethyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1=NO)C(=O)C2CC(CN2C(=O)OCC=C)S

Isomeric SMILES

CCOC(=O)C\1CN(CC/C1=N/O)C(=O)[C@@H]2C[C@@H](CN2C(=O)OCC=C)S

InChI

InChI=1S/C17H25N3O6S/c1-3-7-26-17(23)20-9-11(27)8-14(20)15(21)19-6-5-13(18-24)12(10-19)16(22)25-4-2/h3,11-12,14,24,27H,1,4-10H2,2H3/b18-13-/t11-,12?,14-/m0/s1