tert-butyl (2S)-2-[[[5-(2-ethylphenyl)carbonyl-1,3-thiazol-2-yl]amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[[5-(2-ethylphenyl)carbonyl-1,3-thiazol-2-yl]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[[5-(2-ethylbenzoyl)thiazol-2-yl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[5-[(2-ethylphenyl)-oxomethyl]-2-thiazolyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[[5-(2-ethylbenzoyl)thiazol-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NCC3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NC[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O3S/c1-5-15-9-6-7-11-17(15)19(26)18-14-24-20(29-18)23-13-16-10-8-12-25(16)21(27)28-22(2,3)4/h6-7,9,11,14,16H,5,8,10,12-13H2,1-4H3,(H,23,24)/t16-/m0/s1