[2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(3-phenoxyanilino)ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-oxo-2-(3-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenoxyanilino)ethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-keto-2-(3-phenoxyanilino)ethyl] ester Formula: C26H20BrNO4S MolecularWeight: 522.4103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)COC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)COC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C26H20BrNO4S/c27-26-22-12-5-4-7-18(22)13-14-23(26)33-17-25(30)31-16-24(29)28-19-8-6-11-21(15-19)32-20-9-2-1-3-10-20/h1-15H,16-17H2,(H,28,29)