[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C21H18FNO5S MolecularWeight: 415.434723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H18FNO5S/c1-12(24)13-6-8-14(9-7-13)23-18(25)11-28-21(26)20-15(10-27-2)19-16(22)4-3-5-17(19)29-20/h3-9H,10-11H2,1-2H3,(H,23,25)