ethyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C23H26N2O3S2/c1-6-28-23(27)20-15(4)16(5)30-22(20)24-18(26)10-11-29-19-12-14(3)17-9-7-8-13(2)21(17)25-19/h7-9,12H,6,10-11H2,1-5H3,(H,24,26)