[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(3-bromophenyl)methoxy]benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(3-bromophenyl)methoxy]benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-[(3-bromophenyl)methoxy]benzoate CAS Name: 2-[(3-bromophenyl)methoxy]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(3-bromophenyl)methoxy]benzoate Traditional Name: 2-(3-bromobenzyl)oxybenzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CS2)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CS2)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrNO4S/c22-16-6-3-5-15(11-16)13-26-19-9-2-1-8-18(19)21(25)27-14-20(24)23-12-17-7-4-10-28-17/h1-11H,12-14H2,(H,23,24)