ethyl (5E)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-2-[(4-methylphenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-2-[(4-methylphenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5E)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-2-(4-methylanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5E)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-4-keto-2-(p-toluidino)thiophene-3-carboxylic acid ethyl ester Formula: C29H35NO4S MolecularWeight: 493.6575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C1=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C/C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)/C1=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C29H35NO4S/c1-9-34-27(33)23-25(32)22(35-26(23)30-19-12-10-17(2)11-13-19)16-18-14-20(28(3,4)5)24(31)21(15-18)29(6,7)8/h10-16,30-31H,9H2,1-8H3/b22-16+