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

Systemtic Name: 5-[[3-(4-chlorophenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(4-chlorobenzoyl)-5-ethyl-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[3-[(4-chlorophenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[3-(4-chlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[3-(4-chlorobenzoyl)-5-ethyl-2-thienyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C20H22ClNO4S MolecularWeight: 407.91098

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-4-14-9-15(18(26)12-5-7-13(21)8-6-12)19(27-14)22-16(23)10-20(2,3)11-17(24)25/h5-9H,4,10-11H2,1-3H3,(H,22,23)(H,24,25)