1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-ethanoyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-ethanoyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)(CC2=CSC=N2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CC(=O)N1CCN(C(C1)(CC2=CSC=N2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C23H29N3O5S/c1-15(27)25-8-9-26(23(13-25,21(29)30)11-17-12-32-14-24-17)20(28)16-6-7-18(22(2,3)4)19(10-16)31-5/h6-7,10,12,14H,8-9,11,13H2,1-5H3,(H,29,30)