(2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-keto-valeric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C25H25NO5S/c1-17-6-3-7-18(2)25(17)31-20-13-11-19(12-14-20)26-23(28)9-4-10-24(29)30-16-21(27)22-8-5-15-32-22/h3,5-8,11-15H,4,9-10,16H2,1-2H3,(H,26,28)