[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C20H15BrClNO3S MolecularWeight: 464.76

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C20H15BrClNO3S/c21-14-8-9-16(22)15(11-14)20(25)26-12-18(24)23-19(17-7-4-10-27-17)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,23,24)