3-(4-methylsulfanylphenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid

Systemtic Name: 3-(4-methylsulfanylphenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(4-methylsulfanylphenyl)propanoic acid CAS Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-[4-(methylthio)phenyl]propanoic acid IUPAC Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(4-methylsulfanylphenyl)propanoic acid Traditional Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-[4-(methylthio)phenyl]propionic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC(=O)O)NC(=C(C2=CC=CC=C2)NO)N=O

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC(=O)O)N/C(=C(/C2=CC=CC=C2)\NO)/N=O

InChI

InChI=1S/C18H19N3O4S/c1-26-14-9-7-12(8-10-14)15(11-16(22)23)19-18(21-25)17(20-24)13-5-3-2-4-6-13/h2-10,15,19-20,24H,11H2,1H3,(H,22,23)/b18-17+