(4-nitrophenyl)methyl 2-[(2-oxidanylidene-2-prop-2-enoxy-ethoxy)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-oxidanylidene-2-prop-2-enoxy-ethoxy)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-allyloxy-2-oxo-ethoxy)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(2-oxo-2-prop-2-enoxyethoxy)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-oxo-2-prop-2-enoxyethoxy)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-allyloxy-2-keto-ethoxy)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)COCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C=CCOC(=O)COCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C18H22N2O7S/c1-2-7-26-17(21)12-25-11-15-8-16(28)9-19(15)18(22)27-10-13-3-5-14(6-4-13)20(23)24/h2-6,15-16,28H,1,7-12H2