5-[[5-ethyl-3-(4-phenoxyphenyl)carbonyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[5-ethyl-3-(4-phenoxyphenyl)carbonyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-ethyl-3-(4-phenoxybenzoyl)-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[5-ethyl-3-[oxo-(4-phenoxyphenyl)methyl]-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[5-ethyl-3-(4-phenoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[5-ethyl-3-(4-phenoxybenzoyl)-2-thienyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC(C)(C)CC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC(C)(C)CC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H27NO5S/c1-4-20-14-21(25(33-20)27-22(28)15-26(2,3)16-23(29)30)24(31)17-10-12-19(13-11-17)32-18-8-6-5-7-9-18/h5-14H,4,15-16H2,1-3H3,(H,27,28)(H,29,30)