3-[cyclobutyl-(4-methylcyclohexyl)carbonyl-amino]-5-[4-(pyridazin-3-ylcarbonylamino)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[cyclobutyl-(4-methylcyclohexyl)carbonyl-amino]-5-[4-(pyridazin-3-ylcarbonylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[cyclobutyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(pyridazine-3-carbonylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 3-[cyclobutyl-[(4-methylcyclohexyl)-oxomethyl]amino]-5-[4-[[oxo(3-pyridazinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[cyclobutyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(pyridazine-3-carbonylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[cyclobutyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(pyridazine-3-carbonylamino)phenyl]-2-thenoic acid Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC2)C3=C(SC(=C3)C4=CC=C(C=C4)NC(=O)C5=NN=CC=C5)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC2)C3=C(SC(=C3)C4=CC=C(C=C4)NC(=O)C5=NN=CC=C5)C(=O)O

InChI

InChI=1S/C28H30N4O4S/c1-17-7-9-19(10-8-17)27(34)32(21-4-2-5-21)23-16-24(37-25(23)28(35)36)18-11-13-20(14-12-18)30-26(33)22-6-3-15-29-31-22/h3,6,11-17,19,21H,2,4-5,7-10H2,1H3,(H,30,33)(H,35,36)