[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C22H22FNO4S MolecularWeight: 415.477783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C22H22FNO4S/c1-14-6-3-4-7-15(14)10-11-24-19(25)13-28-22(26)21-16(12-27-2)20-17(23)8-5-9-18(20)29-21/h3-9H,10-13H2,1-2H3,(H,24,25)