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

Systemtic Name: [2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(morpholinomethyl)anilino]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-(4-morpholinylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[4-(morpholinomethyl)anilino]ethyl] ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H21FN2O4S/c23-18-2-1-3-19-17(18)12-20(30-19)22(27)29-14-21(26)24-16-6-4-15(5-7-16)13-25-8-10-28-11-9-25/h1-7,12H,8-11,13-14H2,(H,24,26)