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

Systemtic Name: [2-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3-methyl-1,1-dioxo-thiolan-3-yl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(1,1-diketo-3-methyl-thiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3(CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3(CCS(=O)(=O)C3)C

InChI

InChI=1S/C18H20N2O5S/c1-12-9-14(13-5-3-4-6-15(13)19-12)17(22)25-10-16(21)20-18(2)7-8-26(23,24)11-18/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,21)