[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C20H15BrFNO3S MolecularWeight: 448.305403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)Br

InChI

InChI=1S/C20H15BrFNO3S/c21-16-5-2-1-4-15(16)20(25)26-12-18(24)23-19(17-6-3-11-27-17)13-7-9-14(22)10-8-13/h1-11,19H,12H2,(H,23,24)