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

Systemtic Name: prop-2-enyl (2S,4S)-2-[(E)-C-[(ethylsulfonylamino)methyl]-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(E)-C-[(ethylsulfonylamino)methyl]-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(1E)-2-(ethylsulfonylamino)-1-methoxyiminoethyl]-4-mercapto-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(E)-C-[(ethylsulfonylamino)methyl]-N-methoxycarbonimidoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(E)-C-[(esylamino)methyl]-N-methoxy-carbonimidoyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C13H23N3O5S2 MolecularWeight: 365.46882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O5S2/c1-4-6-21-13(17)16-9-10(22)7-12(16)11(15-20-3)8-14-23(18,19)5-2/h4,10,12,14,22H,1,5-9H2,2-3H3/b15-11+/t10-,12-/m0/s1