4-(4-cyanophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-tert-butoxycarbonylpiperazin-1-yl)-4-(4-cyanophenyl)thiazole-5-carboxylic acid CAS Name: 4-(4-cyanophenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-5-thiazolecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylpiperazino)-4-(4-cyanophenyl)thiazole-5-carboxylic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=C(S2)C(=O)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=C(S2)C(=O)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O4S/c1-20(2,3)28-19(27)24-10-8-23(9-11-24)18-22-15(16(29-18)17(25)26)14-6-4-13(12-21)5-7-14/h4-7H,8-11H2,1-3H3,(H,25,26)