prop-2-enyl 2-[4-(2-oxidanylidene-2-prop-2-enoxy-ethyl)piperazin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[4-(2-oxidanylidene-2-prop-2-enoxy-ethyl)piperazin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl 2-[4-(2-allyloxy-2-oxo-ethyl)piperazine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[oxo-[4-(2-oxo-2-prop-2-enoxyethyl)-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[4-(2-oxo-2-prop-2-enoxyethyl)piperazine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-allyloxy-2-keto-ethyl)piperazine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC=C)S

Isomeric SMILES

C=CCOC(=O)CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC=C)S

InChI

InChI=1S/C18H27N3O5S/c1-3-9-25-16(22)13-19-5-7-20(8-6-19)17(23)15-11-14(27)12-21(15)18(24)26-10-4-2/h3-4,14-15,27H,1-2,5-13H2