ethyl (5Z)-2-[(4-tert-butylphenyl)carbonylamino]-5-[(4-ethoxy-3-iodanyl-5-methoxy-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-2-[(4-tert-butylphenyl)carbonylamino]-5-[(4-ethoxy-3-iodanyl-5-methoxy-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-[(4-tert-butylbenzoyl)amino]-5-[(4-ethoxy-3-iodo-5-methoxy-phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-[(4-tert-butylbenzoyl)amino]-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-[(4-tert-butylbenzoyl)amino]-5-(4-ethoxy-3-iodo-5-methoxy-benzylidene)-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C28H30INO6S MolecularWeight: 635.51037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1I)/C=C\2/C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC)OC

InChI

InChI=1S/C28H30INO6S/c1-7-35-24-19(29)13-16(14-20(24)34-6)15-21-23(31)22(27(33)36-8-2)26(37-21)30-25(32)17-9-11-18(12-10-17)28(3,4)5/h9-15H,7-8H2,1-6H3,(H,30,32)/b21-15-