[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-sec-butyl-amino]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-[butan-2-yl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-[(1,1-diketothiolan-3-yl)-sec-butyl-amino]-2-keto-ethyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5S/c1-3-18(2)28(20-13-14-34(31,32)17-20)25(29)16-33-26(30)22-15-24(19-9-5-4-6-10-19)27-23-12-8-7-11-21(22)23/h4-12,15,18,20H,3,13-14,16-17H2,1-2H3