prop-2-enyl (2S,4S)-2-[(E)-C-(acetamidomethyl)-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[(E)-C-(acetamidomethyl)-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(E)-C-(acetamidomethyl)-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(1E)-2-acetamido-1-methoxyiminoethyl]-4-mercapto-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(E)-C-(acetamidomethyl)-N-methoxycarbonimidoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(E)-C-(acetamidomethyl)-N-methoxy-carbonimidoyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=NOC)C1CC(CN1C(=O)OCC=C)S

Isomeric SMILES

CC(=O)NC/C(=N\OC)/[C@@H]1C[C@@H](CN1C(=O)OCC=C)S

InChI

InChI=1S/C13H21N3O4S/c1-4-5-20-13(18)16-8-10(21)6-12(16)11(15-19-3)7-14-9(2)17/h4,10,12,21H,1,5-8H2,2-3H3,(H,14,17)/b15-11+/t10-,12-/m0/s1