(4-nitrophenyl)methyl 2-[3-(hydroxymethyl)imidazo[5,1-b][1,3]thiazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(hydroxymethyl)imidazo[5,1-b][1,3]thiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(hydroxymethyl)imidazo[5,1-b]thiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-[3-(hydroxymethyl)-2-imidazo[5,1-b]thiazolyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(hydroxymethyl)imidazo[5,1-b][1,3]thiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-(3-methylolimidazo[5,1-b]thiazol-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(N4C=NC=C4S3)CO

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(N4C=NC=C4S3)CO

InChI

InChI=1S/C18H18N4O5S/c23-9-15-17(28-16-8-19-11-21(15)16)14-2-1-7-20(14)18(24)27-10-12-3-5-13(6-4-12)22(25)26/h3-6,8,11,14,23H,1-2,7,9-10H2