(2R,4S)-5-[(1R)-1-acetamido-2-(ethylcarbamothioyloxy)ethyl]-4-ethenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-5-[(1R)-1-acetamido-2-(ethylcarbamothioyloxy)ethyl]-4-ethenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-5-[(1R)-1-acetamido-2-(ethylcarbamothioyloxy)ethyl]-4-vinyl-pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-5-[(1R)-1-acetamido-2-[ethylamino(sulfanylidene)methoxy]ethyl]-4-ethenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-5-[(1R)-1-acetamido-2-(ethylcarbamothioyloxy)ethyl]-4-ethenylpyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-5-[(1R)-1-acetamido-2-(ethylthiocarbamoyloxy)ethyl]-4-vinyl-proline Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)OCC(C1C(CC(N1)C(=O)O)C=C)NC(=O)C

Isomeric SMILES

CCNC(=S)OC[C@@H](C1[C@@H](C[C@@H](N1)C(=O)O)C=C)NC(=O)C

InChI

InChI=1S/C14H23N3O4S/c1-4-9-6-10(13(19)20)17-12(9)11(16-8(3)18)7-21-14(22)15-5-2/h4,9-12,17H,1,5-7H2,2-3H3,(H,15,22)(H,16,18)(H,19,20)/t9-,10-,11+,12?/m1/s1