[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H15BrFNO3S/c18-12-2-1-3-14(10-12)20-16(21)11-23-17(22)8-9-24-15-6-4-13(19)5-7-15/h1-7,10H,8-9,11H2,(H,20,21)