[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl N-butyl-N-methyl-carbamodithioate

Systemtic Name: [6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl N-butyl-N-methyl-carbamodithioate Openeye Name: [3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl N-butyl-N-methyl-carbamodithioate CAS Name: N-butyl-N-methylcarbamodithioic acid [3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl ester IUPAC Name: [3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl N-butyl-N-methylcarbamodithioate Traditional Name: N-butyl-N-methyl-carbamodithioic acid (3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl ester Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=S)SCC1=C(C(=O)C=C(O1)CO)O

Isomeric SMILES

CCCCN(C)C(=S)SCC1=C(C(=O)C=C(O1)CO)O

InChI

InChI=1S/C13H19NO4S2/c1-3-4-5-14(2)13(19)20-8-11-12(17)10(16)6-9(7-15)18-11/h6,15,17H,3-5,7-8H2,1-2H3