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

Systemtic Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(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)C(C)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S2/c1-4-31-26(30)23-20(18-10-6-5-7-11-18)15-32-25(23)28-24(29)17(3)33-22-14-16(2)19-12-8-9-13-21(19)27-22/h5-15,17H,4H2,1-3H3,(H,28,29)