[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-[[(3R)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O5S/c1-15-7-8-20-18(11-15)19(12-21(25-20)16-5-3-2-4-6-16)23(27)30-13-22(26)24-17-9-10-31(28,29)14-17/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,24,26)/t17-/m1/s1