(phenylmethyl) 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[4-(3-nitrophenyl)thiazol-2-yl]pyrrolidine-2-carboxylate CAS Name: 1-[4-(3-nitrophenyl)-2-thiazolyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-(3-nitrophenyl)thiazol-2-yl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c25-20(28-13-15-6-2-1-3-7-15)19-10-5-11-23(19)21-22-18(14-29-21)16-8-4-9-17(12-16)24(26)27/h1-4,6-9,12,14,19H,5,10-11,13H2