[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-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] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H26N2O6S/c25-20-12-18(17-8-4-5-9-19(17)23-20)22(27)30-13-21(26)24(15-6-2-1-3-7-15)16-10-11-31(28,29)14-16/h4-5,8-9,12,15-16H,1-3,6-7,10-11,13-14H2,(H,23,25)