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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic 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] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O5S2/c1-30(26,27)23-11-4-5-15-13-16(6-7-17(15)23)19(24)14-28-21(25)20-18(8-12-29-20)22-9-2-3-10-22/h2-3,6-10,12-13H,4-5,11,14H2,1H3