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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C20H18FNO3S MolecularWeight: 371.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C20H18FNO3S/c1-13-5-2-3-6-14(13)9-10-22-19(23)12-25-20(24)18-11-15-16(21)7-4-8-17(15)26-18/h2-8,11H,9-10,12H2,1H3,(H,22,23)