ethyl (4E)-4-methoxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl (4E)-4-methoxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl (4E)-1-[(2S,4S)-1-allyloxycarbonyl-4-sulfanyl-pyrrolidine-2-carbonyl]-4-methoxyimino-pyrrolidine-3-carboxylate CAS Name: (4E)-1-[[(2S,4S)-4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]-oxomethyl]-4-methoxyimino-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-methoxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate Traditional Name: (4E)-1-[(2S,4S)-1-allyloxycarbonyl-4-mercapto-prolyl]-4-methyloximino-pyrrolidine-3-carboxylic acid ethyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1=NOC)C(=O)C2CC(CN2C(=O)OCC=C)S

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-4-6-26-17(23)20-8-11(27)7-14(20)15(21)19-9-12(16(22)25-5-2)13(10-19)18-24-3/h4,11-12,14,27H,1,5-10H2,2-3H3/b18-13-/t11-,12?,14-/m0/s1