[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C16H14Br2FNO3S MolecularWeight: 479.158663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C16H14Br2FNO3S/c1-9(23-16(22)13-7-12(17)14(18)24-13)15(21)20(2)8-10-4-3-5-11(19)6-10/h3-7,9H,8H2,1-2H3