2-[(4-tert-butylcyclohexyl)-(4-phenoxyphenyl)carbonyl-amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(4-tert-butylcyclohexyl)-(4-phenoxyphenyl)carbonyl-amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(4-tert-butylcyclohexyl)-(4-phenoxybenzoyl)amino]thiazole-5-carboxylic acid CAS Name: 2-[(4-tert-butylcyclohexyl)-[oxo-(4-phenoxyphenyl)methyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 2-[(4-tert-butylcyclohexyl)-(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-tert-butylcyclohexyl)-(4-phenoxybenzoyl)amino]thiazole-5-carboxylic acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-27(2,3)19-11-13-20(14-12-19)29(26-28-17-23(34-26)25(31)32)24(30)18-9-15-22(16-10-18)33-21-7-5-4-6-8-21/h4-10,15-17,19-20H,11-14H2,1-3H3,(H,31,32)