5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]benzothiophene-2-carboxylic acid CAS Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]benzothiophene-2-carboxylic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NC2=CC3=C(C=C2)SC(=C3)C(=O)O)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC2=CC3=C(C=C2)SC(=C3)C(=O)O)\N=O)/NO

InChI

InChI=1S/C17H13N3O4S/c21-17(22)14-9-11-8-12(6-7-13(11)25-14)18-16(20-24)15(19-23)10-4-2-1-3-5-10/h1-9,18-19,23H,(H,21,22)/b16-15+