[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-[butyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-[butyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=C3C=CC(=CC3=C2)Cl)C

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=C3C=CC(=CC3=C2)Cl)C

InChI

InChI=1S/C21H25ClN2O5S/c1-3-4-8-24(17-7-9-30(27,28)13-17)20(25)12-29-21(26)18-11-15-10-16(22)5-6-19(15)23-14(18)2/h5-6,10-11,17H,3-4,7-9,12-13H2,1-2H3