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

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

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

Isomeric SMILES

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

InChI

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