ethyl 6-tert-butyl-2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(2-chloro-4-fluoro-benzoyl)amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(2-chloro-4-fluorobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2-chloro-4-fluoro-benzoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H21ClFNO3S MolecularWeight: 433.923443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H21ClFNO3S/c1-5-28-21(27)18-15-8-6-12(22(2,3)4)10-17(15)29-20(18)25-19(26)14-9-7-13(24)11-16(14)23/h6-11H,5H2,1-4H3,(H,25,26)