2-[(4-bromophenyl)methyl-[2-(1-thiophen-2-ylethenylamino)oxyethanoyl]amino]benzoate

Systemtic Name: 2-[(4-bromophenyl)methyl-[2-(1-thiophen-2-ylethenylamino)oxyethanoyl]amino]benzoate Openeye Name: 2-[(4-bromophenyl)methyl-[2-[1-(2-thienyl)vinylamino]oxyacetyl]amino]benzoate CAS Name: 2-[(4-bromophenyl)methyl-[1-oxo-2-(1-thiophen-2-ylethenylamino)oxyethyl]amino]benzoate IUPAC Name: 2-[(4-bromophenyl)methyl-[2-(1-thiophen-2-ylethenylamino)oxyacetyl]amino]benzoate Traditional Name: 2-[(4-bromobenzyl)-[2-[1-(2-thienyl)vinylamino]oxyacetyl]amino]benzoate Formula: C22H18BrN2O4S- MolecularWeight: 486.35832

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CS1)NOCC(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C=C(C1=CC=CS1)NOCC(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C22H19BrN2O4S/c1-15(20-7-4-12-30-20)24-29-14-21(26)25(13-16-8-10-17(23)11-9-16)19-6-3-2-5-18(19)22(27)28/h2-12,24H,1,13-14H2,(H,27,28)/p-1