6-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-isobutylphenyl)-5-methyl-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[5-methyl-4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-isobutylphenyl)-5-methyl-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2CC=CCC2C(=O)O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2CC=CCC2C(=O)O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C22H26N2O3S/c1-13(2)12-15-8-10-16(11-9-15)19-14(3)28-22(23-19)24-20(25)17-6-4-5-7-18(17)21(26)27/h4-5,8-11,13,17-18H,6-7,12H2,1-3H3,(H,26,27)(H,23,24,25)