tert-butyl 2-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)-1-ethanoyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 2-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)-1-ethanoyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-acetyl-2-(2-amino-4-phenyl-thiazol-5-yl)pyrrolidine-2-carboxylate CAS Name: 1-acetyl-2-(2-amino-4-phenyl-5-thiazolyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-acetyl-2-(2-amino-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxylate Traditional Name: 1-acetyl-2-(2-amino-4-phenyl-thiazol-5-yl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1(C2=C(N=C(S2)N)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1CCCC1(C2=C(N=C(S2)N)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N3O3S/c1-13(24)23-12-8-11-20(23,17(25)26-19(2,3)4)16-15(22-18(21)27-16)14-9-6-5-7-10-14/h5-7,9-10H,8,11-12H2,1-4H3,(H2,21,22)