ethyl 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H24N2O3S2 MolecularWeight: 476.61036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S2/c1-3-31-26(30)24-20(18-9-5-4-6-10-18)16-33-25(24)28-22(29)13-14-32-23-15-17(2)19-11-7-8-12-21(19)27-23/h4-12,15-16H,3,13-14H2,1-2H3,(H,28,29)