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

Systemtic Name: 5-[[3-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(3-chloro-4-fluoro-benzoyl)-5-ethyl-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[3-[(3-chloro-4-fluorophenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[3-(3-chloro-4-fluorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[3-(3-chloro-4-fluoro-benzoyl)-5-ethyl-2-thienyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C20H21ClFNO4S MolecularWeight: 425.901443

Click to see the large picture

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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFNO4S/c1-4-12-8-13(18(27)11-5-6-15(22)14(21)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)