[2-[(4-fluorophenyl)methylamino]-1-(4-methylphenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-1-(4-methylphenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-1-(p-tolyl)ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(4-fluorophenyl)methylamino]-1-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-1-(4-methylphenyl)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-(p-tolyl)ethyl] ester Formula: C21H18FNO3S MolecularWeight: 383.435923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)OC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18FNO3S/c1-14-4-8-16(9-5-14)19(26-21(25)18-3-2-12-27-18)20(24)23-13-15-6-10-17(22)11-7-15/h2-12,19H,13H2,1H3,(H,23,24)