[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-bromanylbenzoate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C20H16BrNO3S MolecularWeight: 430.31494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO3S/c21-16-9-4-8-15(12-16)20(24)25-13-18(23)22-19(17-10-5-11-26-17)14-6-2-1-3-7-14/h1-12,19H,13H2,(H,22,23)