[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-16-9-11-17(12-10-16)24-21(27)15-29-23(28)19-14-26(18-6-3-2-4-7-18)25-22(19)20-8-5-13-30-20/h2-8,13-14,16-17H,9-12,15H2,1H3,(H,24,27)