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

Systemtic Name: (phenylmethyl) (2S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[4-(4-bromophenyl)thiazol-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(4-bromophenyl)-2-thiazolyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-bromophenyl)thiazol-2-yl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2/t19-/m0/s1