tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-13-17(14-8-10-15(27-5)11-9-14)22-19(29-13)23-18(25)16-7-6-12-24(16)20(26)28-21(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,22,23,25)/t16-/m0/s1