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

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C27H26N2O3S2/c1-5-32-27(31)23-21(19-11-7-6-8-12-19)15-33-26(23)29-25(30)18(4)34-22-14-17(3)20-13-9-10-16(2)24(20)28-22/h6-15,18H,5H2,1-4H3,(H,29,30)