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

Systemtic Name: ethyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[(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)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S2/c1-4-32-27(31)24-21(19-10-6-5-7-11-19)16-34-26(24)28-22(30)13-14-33-23-15-18(3)20-12-8-9-17(2)25(20)29-23/h5-12,15-16H,4,13-14H2,1-3H3,(H,28,30)