ethyl 2-[(4-ethoxyphenyl)amino]-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)amino]-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 2-(4-ethoxyanilino)-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxyanilino)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 5-(3-ethoxy-4-propargyloxy-benzylidene)-4-keto-2-(p-phenetidino)thiophene-3-carboxylic acid ethyl ester Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OCC)S2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OCC)S2)C(=O)OCC

InChI

InChI=1S/C27H27NO6S/c1-5-15-34-21-14-9-18(16-22(21)32-7-3)17-23-25(29)24(27(30)33-8-4)26(35-23)28-19-10-12-20(13-11-19)31-6-2/h1,9-14,16-17,28H,6-8,15H2,2-4H3