3-methylsulfanyl-1-(2-pyridin-2-ylethoxycarbonylamino)propane-1-sulfinic acid

Systemtic Name: 3-methylsulfanyl-1-(2-pyridin-2-ylethoxycarbonylamino)propane-1-sulfinic acid Openeye Name: 3-methylsulfanyl-1-[2-(2-pyridyl)ethoxycarbonylamino]propane-1-sulfinic acid CAS Name: 3-(methylthio)-1-[[oxo-[2-(2-pyridinyl)ethoxy]methyl]amino]-1-propanesulfinic acid IUPAC Name: 3-methylsulfanyl-1-(2-pyridin-2-ylethoxycarbonylamino)propane-1-sulfinic acid Traditional Name: 3-(methylthio)-1-[2-(2-pyridyl)ethoxycarbonylamino]propane-1-sulfinic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(NC(=O)OCCC1=CC=CC=N1)S(=O)O

Isomeric SMILES

CSCCC(NC(=O)OCCC1=CC=CC=N1)S(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-19-9-6-11(20(16)17)14-12(15)18-8-5-10-4-2-3-7-13-10/h2-4,7,11H,5-6,8-9H2,1H3,(H,14,15)(H,16,17)