O4-methyl O2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester O4-methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C)C(=O)OC

InChI

InChI=1S/C22H26N2O7S/c1-5-16-19(21(26)30-3)13(2)20(23-16)22(27)31-12-18(25)15-8-9-17-14(11-15)7-6-10-24(17)32(4,28)29/h8-9,11,23H,5-7,10,12H2,1-4H3