O2-tert-butyl O4-ethyl 3-methyl-5-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C31H32N2O5S MolecularWeight: 544.66118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C31H32N2O5S/c1-8-37-29(35)24-19(4)26(30(36)38-31(5,6)7)39-28(24)33-27(34)23-18(3)25(20-15-13-17(2)14-16-20)32-22-12-10-9-11-21(22)23/h9-16H,8H2,1-7H3,(H,33,34)