[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 6-fluorobenzothiophene-2-carboxylate CAS Name: 6-fluoro-1-benzothiophene-2-carboxylic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 6-fluorobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H21FN2O6S2 MolecularWeight: 492.540343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H21FN2O6S2/c1-14(31-22(27)20-11-15-5-6-16(23)12-19(15)32-20)21(26)24-17-3-2-4-18(13-17)33(28,29)25-7-9-30-10-8-25/h2-6,11-14H,7-10H2,1H3,(H,24,26)