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

Systemtic Name: 6-[[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-butylphenyl)-5-methyl-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(4-butylphenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-butylphenyl)-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:

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3CC=CCC3C(=O)O)C

InChI

InChI=1S/C22H26N2O3S/c1-3-4-7-15-10-12-16(13-11-15)19-14(2)28-22(23-19)24-20(25)17-8-5-6-9-18(17)21(26)27/h5-6,10-13,17-18H,3-4,7-9H2,1-2H3,(H,26,27)(H,23,24,25)