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

Systemtic Name: O2-tert-butyl O4-ethyl 5-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-methyl-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=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)C)C

Isomeric SMILES

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

InChI

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