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

Systemtic Name: ethyl (5Z)-5-[(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)methylene]-2-[(4-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-2-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-5-(3-ethoxy-5-iodo-4-propargyloxy-benzylidene)-4-keto-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H24INO6S MolecularWeight: 617.45203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C(=O)OCC)I)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C(=O)OCC)I)OCC#C

InChI

InChI=1S/C27H24INO6S/c1-5-12-35-24-19(28)13-17(14-20(24)33-6-2)15-21-23(30)22(27(32)34-7-3)26(36-21)29-25(31)18-10-8-16(4)9-11-18/h1,8-11,13-15H,6-7,12H2,2-4H3,(H,29,31)/b21-15-