(2R)-2-acetamido-3-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-1H-pyridin-2-ylidene)-nitroso-methyl]sulfanyl-propanoate

Systemtic Name: (2R)-2-acetamido-3-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-1H-pyridin-2-ylidene)-nitroso-methyl]sulfanyl-propanoate Openeye Name: (2R)-2-acetamido-3-[[4-methoxy-3-methylsulfanyl-6-(2-pyridyl)-1H-pyridin-2-ylidene]-nitroso-methyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[[4-methoxy-3-(methylthio)-6-(2-pyridinyl)-1H-pyridin-2-ylidene]-nitrosomethyl]thio]propanoate IUPAC Name: (2R)-2-acetamido-3-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-1H-pyridin-2-ylidene)-nitrosomethyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[[4-methoxy-3-(methylthio)-6-(2-pyridyl)-1H-pyridin-2-ylidene]-nitroso-methyl]thio]propionate Formula: C18H19N4O5S2- MolecularWeight: 435.49726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=C1C(=C(C=C(N1)C2=CC=CC=N2)OC)SC)N=O)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CSC(=C1C(=C(C=C(N1)C2=CC=CC=N2)OC)SC)N=O)C(=O)[O-]

InChI

InChI=1S/C18H20N4O5S2/c1-10(23)20-13(18(24)25)9-29-17(22-26)15-16(28-3)14(27-2)8-12(21-15)11-6-4-5-7-19-11/h4-8,13,21H,9H2,1-3H3,(H,20,23)(H,24,25)/p-1/t13-/m0/s1