ethyl 3-(1-oxidanidylpyrimidin-1-ium-2-yl)-3-propylsulfanyl-propanoate

Systemtic Name: ethyl 3-(1-oxidanidylpyrimidin-1-ium-2-yl)-3-propylsulfanyl-propanoate Openeye Name: ethyl 3-(1-oxidopyrimidin-1-ium-2-yl)-3-propylsulfanyl-propanoate CAS Name: 3-(1-oxido-2-pyrimidin-1-iumyl)-3-(propylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-oxidopyrimidin-1-ium-2-yl)-3-propylsulfanylpropanoate Traditional Name: 3-(1-oxidopyrimidin-1-ium-2-yl)-3-(propylthio)propionic acid ethyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC(=O)OCC)C1=NC=CC=[N+]1[O-]

Isomeric SMILES

CCCSC(CC(=O)OCC)C1=NC=CC=[N+]1[O-]

InChI

InChI=1S/C12H18N2O3S/c1-3-8-18-10(9-11(15)17-4-2)12-13-6-5-7-14(12)16/h5-7,10H,3-4,8-9H2,1-2H3