[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H19FN2O4S/c22-17-2-1-3-18-16(17)12-19(29-18)21(26)28-13-20(25)23-14-4-6-15(7-5-14)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)