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

Systemtic Name: 5-[[3-(3,4-dichlorophenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(3,4-dichlorobenzoyl)-5-ethyl-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[3-[(3,4-dichlorophenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[3-(3,4-dichlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[3-(3,4-dichlorobenzoyl)-5-ethyl-2-thienyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C20H21Cl2NO4S MolecularWeight: 442.35604

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO4S/c1-4-12-8-13(18(27)11-5-6-14(21)15(22)7-11)19(28-12)23-16(24)9-20(2,3)10-17(25)26/h5-8H,4,9-10H2,1-3H3,(H,23,24)(H,25,26)