(4-nitrophenyl)methyl 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(4-methylol-1,3-dioxolan-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2OCC(O2)CO)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2OCC(O2)CO)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H20N2O7S/c19-7-12-9-23-15(25-12)14-5-13(26)6-17(14)16(20)24-8-10-1-3-11(4-2-10)18(21)22/h1-4,12-15,19,26H,5-9H2