butyl 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClNO4S/c1-3-4-11-27-22(26)20-16-7-5-6-8-18(16)29-21(20)24-19(25)13-28-17-10-9-15(23)12-14(17)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,25)