[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 1H-indole-2-carboxylate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 1H-indole-2-carboxylate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H20N2O5S/c1-29(26,27)23-10-4-6-15-11-16(8-9-19(15)23)20(24)13-28-21(25)18-12-14-5-2-3-7-17(14)22-18/h2-3,5,7-9,11-12,22H,4,6,10,13H2,1H3