methyl (1E)-N-[methyl(3-pyridin-3-ylpropoxysulfinyl)carbamoyl]oxyethanimidothioate

Systemtic Name: methyl (1E)-N-[methyl(3-pyridin-3-ylpropoxysulfinyl)carbamoyl]oxyethanimidothioate Openeye Name: methyl (1E)-N-[methyl-[3-(3-pyridyl)propoxysulfinyl]carbamoyl]oxyethanimidothioate CAS Name: (1E)-N-[[methyl-[3-(3-pyridinyl)propoxysulfinyl]amino]-oxomethoxy]ethanimidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[methyl(3-pyridin-3-ylpropoxysulfinyl)carbamoyl]oxyethanimidothioate Traditional Name: (1E)-N-[methyl-[3-(3-pyridyl)propoxysulfinyl]carbamoyl]oxythioacetimidic acid methyl ester Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)S(=O)OCCCC1=CN=CC=C1)SC

Isomeric SMILES

C/C(=N\OC(=O)N(C)S(=O)OCCCC1=CN=CC=C1)/SC

InChI

InChI=1S/C13H19N3O4S2/c1-11(21-3)15-20-13(17)16(2)22(18)19-9-5-7-12-6-4-8-14-10-12/h4,6,8,10H,5,7,9H2,1-3H3/b15-11+