2-[(4-bromophenyl)methyl-[(E)-1-thiophen-2-ylethylideneamino]oxycarbonyl-amino]benzoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl-[(E)-1-thiophen-2-ylethylideneamino]oxycarbonyl-amino]benzoic acid Openeye Name: 2-[(4-bromophenyl)methyl-[(E)-1-(2-thienyl)ethylideneamino]oxycarbonyl-amino]benzoic acid CAS Name: 2-[(4-bromophenyl)methyl-[oxo-[(E)-1-thiophen-2-ylethylideneamino]oxymethyl]amino]benzoic acid IUPAC Name: 2-[(4-bromophenyl)methyl-[(E)-1-thiophen-2-ylethylideneamino]oxycarbonylamino]benzoic acid Traditional Name: 2-[(4-bromobenzyl)-[(E)-1-(2-thienyl)ethylideneamino]oxycarbonyl-amino]benzoic acid Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(CC1=CC=C(C=C1)Br)C2=CC=CC=C2C(=O)O)C3=CC=CS3

Isomeric SMILES

C/C(=N\OC(=O)N(CC1=CC=C(C=C1)Br)C2=CC=CC=C2C(=O)O)/C3=CC=CS3

InChI

InChI=1S/C21H17BrN2O4S/c1-14(19-7-4-12-29-19)23-28-21(27)24(13-15-8-10-16(22)11-9-15)18-6-3-2-5-17(18)20(25)26/h2-12H,13H2,1H3,(H,25,26)/b23-14+