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

Systemtic Name: 5-[[3-(3,4-dimethylphenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(3,4-dimethylbenzoyl)-5-ethyl-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[3-[(3,4-dimethylphenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[3-(3,4-dimethylbenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[3-(3,4-dimethylbenzoyl)-5-ethyl-2-thienyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C22H27NO4S MolecularWeight: 401.51908

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-6-16-10-17(20(27)15-8-7-13(2)14(3)9-15)21(28-16)23-18(24)11-22(4,5)12-19(25)26/h7-10H,6,11-12H2,1-5H3,(H,23,24)(H,25,26)