prop-2-enyl (2S,4S)-2-[[azanyl(piperazin-1-yl)methylidene]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[[azanyl(piperazin-1-yl)methylidene]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[[amino(piperazin-1-yl)methylene]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[amino(1-piperazinyl)methylidene]amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[[amino(piperazin-1-yl)methylidene]carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[[amino(piperazino)methylene]carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C14H23N5O3S MolecularWeight: 341.42912

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)N=C(N)N2CCNCC2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1C(=O)N=C(N)N2CCNCC2)S

InChI

InChI=1S/C14H23N5O3S/c1-2-7-22-14(21)19-9-10(23)8-11(19)12(20)17-13(15)18-5-3-16-4-6-18/h2,10-11,16,23H,1,3-9H2,(H2,15,17,20)/t10-,11-/m0/s1