2-[2-(4-methoxyphenyl)sulfanylethyl-nitroso-amino]propanoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)sulfanylethyl-nitroso-amino]propanoic acid Openeye Name: 2-[2-(4-methoxyphenyl)sulfanylethyl-nitroso-amino]propanoic acid CAS Name: 2-[2-[(4-methoxyphenyl)thio]ethyl-nitrosoamino]propanoic acid IUPAC Name: 2-[2-(4-methoxyphenyl)sulfanylethyl-nitrosoamino]propanoic acid Traditional Name: 2-[2-[(4-methoxyphenyl)thio]ethyl-nitroso-amino]propionic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CCSC1=CC=C(C=C1)OC)N=O

Isomeric SMILES

CC(C(=O)O)N(CCSC1=CC=C(C=C1)OC)N=O

InChI

InChI=1S/C12H16N2O4S/c1-9(12(15)16)14(13-17)7-8-19-11-5-3-10(18-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,16)