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

Systemtic Name: 5-[[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[(5-ethyl-3-p-anisoyl-2-thienyl)amino]-5-keto-3,3-dimethyl-valeric acid Formula: C21H25NO5S MolecularWeight: 403.4919

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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)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC(C)(C)CC(=O)O)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO5S/c1-5-15-10-16(19(26)13-6-8-14(27-4)9-7-13)20(28-15)22-17(23)11-21(2,3)12-18(24)25/h6-10H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)