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

Systemtic Name: prop-2-enyl 2-[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl 2-[4-(2-benzyloxy-2-oxo-ethyl)piperazine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[oxo-[4-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-benzoxy-2-keto-ethyl)piperazine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)N2CCN(CC2)CC(=O)OCC3=CC=CC=C3)S

Isomeric SMILES

C=CCOC(=O)N1CC(CC1C(=O)N2CCN(CC2)CC(=O)OCC3=CC=CC=C3)S

InChI

InChI=1S/C22H29N3O5S/c1-2-12-29-22(28)25-14-18(31)13-19(25)21(27)24-10-8-23(9-11-24)15-20(26)30-16-17-6-4-3-5-7-17/h2-7,18-19,31H,1,8-16H2