tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4S/c1-20(2,3)27-19(25)23-11-5-6-16(23)17(24)22-18-21-15(12-28-18)13-7-9-14(26-4)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3,(H,21,22,24)/t16-/m0/s1