ethyl 4-phenyl-2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-[(E)-3-(8-quinolyl)prop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[(E)-3-(8-quinolyl)acryloyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H22N2O5S/c1-2-33-27(32)24-21(18-8-4-3-5-9-18)17-35-26(24)29-22(30)16-34-23(31)14-13-20-11-6-10-19-12-7-15-28-25(19)20/h3-15,17H,2,16H2,1H3,(H,29,30)/b14-13+