2-[[2-methyl-3-[2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[[2-methyl-3-[2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid Openeye Name: 2-[[2-methyl-3-[2-(1H-pyrazol-5-yl)thiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid CAS Name: 2-[[2-methyl-1-oxo-3-[2-(1H-pyrazol-5-yl)-5-thiazolyl]propyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[2-methyl-3-[2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid Traditional Name: 2-[[2-methyl-3-[2-(1H-pyrazol-5-yl)thiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=C(S1)C2=CC=NN2)C(=O)NC3=C(CCCC3)C(=O)O

Isomeric SMILES

CC(CC1=CN=C(S1)C2=CC=NN2)C(=O)NC3=C(CCCC3)C(=O)O

InChI

InChI=1S/C17H20N4O3S/c1-10(8-11-9-18-16(25-11)14-6-7-19-21-14)15(22)20-13-5-3-2-4-12(13)17(23)24/h6-7,9-10H,2-5,8H2,1H3,(H,19,21)(H,20,22)(H,23,24)