[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O5S/c26-21(25(17-9-5-2-6-10-17)18-11-12-31(28,29)15-18)14-30-22(27)20-13-19(23-24-20)16-7-3-1-4-8-16/h1,3-4,7-8,13,17-18H,2,5-6,9-12,14-15H2,(H,23,24)