(2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-[[4-(4-tert-butylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-[[4-(4-tert-butylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 5-[4-(4-tert-butylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(4-tert-butylphenoxy)anilino]-5-oxopentanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 5-[4-(4-tert-butylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(4-tert-butylphenoxy)anilino]-5-keto-valeric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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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)CCCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5S/c1-27(2,3)19-9-13-21(14-10-19)33-22-15-11-20(12-16-22)28-25(30)7-4-8-26(31)32-18-23(29)24-6-5-17-34-24/h5-6,9-17H,4,7-8,18H2,1-3H3,(H,28,30)