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

Systemtic Name: 6-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[5-methyl-4-(4-propylphenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3CC=CCC3C(=O)O)C

InChI

InChI=1S/C21H24N2O3S/c1-3-6-14-9-11-15(12-10-14)18-13(2)27-21(22-18)23-19(24)16-7-4-5-8-17(16)20(25)26/h4-5,9-12,16-17H,3,6-8H2,1-2H3,(H,25,26)(H,22,23,24)