ethyl 5-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 5-[(3-chloro-4-prop-2-ynoxy-phenyl)methylene]-2-[(4-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: 5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-2-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: 5-(3-chloro-4-propargyloxy-benzylidene)-4-keto-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H20ClNO5S MolecularWeight: 481.948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC#C)Cl)C1=O)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC#C)Cl)C1=O)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H20ClNO5S/c1-4-12-32-19-11-8-16(13-18(19)26)14-20-22(28)21(25(30)31-5-2)24(33-20)27-23(29)17-9-6-15(3)7-10-17/h1,6-11,13-14H,5,12H2,2-3H3,(H,27,29)