3-[4-(methoxymethoxy)phenyl]-2-[methyl-(2-nitrophenyl)sulfanyl-amino]-3-oxidanyl-propanoic acid

Systemtic Name: 3-[4-(methoxymethoxy)phenyl]-2-[methyl-(2-nitrophenyl)sulfanyl-amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-2-[methyl-(2-nitrophenyl)sulfanyl-amino]propanoic acid CAS Name: 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-2-[methyl-[(2-nitrophenyl)thio]amino]propanoic acid IUPAC Name: 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-2-[methyl-(2-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-2-[methyl-[(2-nitrophenyl)thio]amino]propionic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C(C1=CC=C(C=C1)OCOC)O)C(=O)O)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C(C(C1=CC=C(C=C1)OCOC)O)C(=O)O)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-19(28-15-6-4-3-5-14(15)20(24)25)16(18(22)23)17(21)12-7-9-13(10-8-12)27-11-26-2/h3-10,16-17,21H,11H2,1-2H3,(H,22,23)