ethyl 2-[2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H24N4O4S2 MolecularWeight: 556.65526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)C5=NC=CN5C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)C5=NC=CN5C

InChI

InChI=1S/C29H24N4O4S2/c1-3-37-29(36)25-21(18-9-5-4-6-10-18)16-39-28(25)32-23(34)17-38-24-15-20(19-11-7-8-12-22(19)31-24)26(35)27-30-13-14-33(27)2/h4-16H,3,17H2,1-2H3,(H,32,34)