4-[[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]methyl]cyclohexanecarboxylic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H21N3O3S/c1-11-14(24-17(19-11)20-8-2-3-9-20)15(21)18-10-12-4-6-13(7-5-12)16(22)23/h2-3,8-9,12-13H,4-7,10H2,1H3,(H,18,21)(H,22,23)