prop-2-enyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[oxo-[2-(1-piperazinyl)ethylamino]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-(2-piperazinoethylcarbamoyl)pyrrolidine-1-carboxylic acid allyl ester Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NCCN2CCNCC2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1C(=O)NCCN2CCNCC2)S

InChI

InChI=1S/C15H26N4O3S/c1-2-9-22-15(21)19-11-12(23)10-13(19)14(20)17-5-8-18-6-3-16-4-7-18/h2,12-13,16,23H,1,3-11H2,(H,17,20)/t12-,13-/m0/s1