(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[[4-(4-tert-butylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[[4-(4-tert-butylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-[4-(4-tert-butylphenoxy)anilino]-4-oxo-butanoate CAS Name: 4-[4-(4-tert-butylphenoxy)anilino]-4-oxobutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-[4-(4-tert-butylphenoxy)anilino]-4-oxobutanoate Traditional Name: 4-[4-(4-tert-butylphenoxy)anilino]-4-keto-butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C26H27NO5S/c1-26(2,3)18-6-10-20(11-7-18)32-21-12-8-19(9-13-21)27-24(29)14-15-25(30)31-17-22(28)23-5-4-16-33-23/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)