ethyl 4-phenyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C28H28N2O3S2/c1-5-33-28(32)25-22(20-9-7-6-8-10-20)16-35-27(25)29-23(31)11-12-34-24-15-18(3)21-14-17(2)13-19(4)26(21)30-24/h6-10,13-16H,5,11-12H2,1-4H3,(H,29,31)