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

Systemtic Name: [6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl N-methyl-N-(phenylmethyl)carbamodithioate Openeye Name: [3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl N-benzyl-N-methyl-carbamodithioate CAS Name: N-methyl-N-(phenylmethyl)carbamodithioic acid [3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl ester IUPAC Name: [3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl N-benzyl-N-methylcarbamodithioate Traditional Name: N-benzyl-N-methyl-carbamodithioic acid (3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl ester Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)SCC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)SCC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C16H17NO4S2/c1-17(8-11-5-3-2-4-6-11)16(22)23-10-14-15(20)13(19)7-12(9-18)21-14/h2-7,18,20H,8-10H2,1H3