3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(2-thienyl)propionic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NC(CC(=O)O)C2=CC=CS2)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC(CC(=O)O)C2=CC=CS2)\N=O)/NO

InChI

InChI=1S/C15H15N3O4S/c19-13(20)9-11(12-7-4-8-23-12)16-15(18-22)14(17-21)10-5-2-1-3-6-10/h1-8,11,16-17,21H,9H2,(H,19,20)/b15-14+