(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl N-(phenylmethyl)carbamodithioate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl N-(phenylmethyl)carbamodithioate Openeye Name: (5-hydroxy-4-oxo-pyran-2-yl)methyl N-benzylcarbamodithioate CAS Name: N-(phenylmethyl)carbamodithioic acid (5-hydroxy-4-oxo-2-pyranyl)methyl ester IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl N-benzylcarbamodithioate Traditional Name: N-benzylcarbamodithioic acid (5-hydroxy-4-keto-pyran-2-yl)methyl ester Formula: C14H13NO3S2 MolecularWeight: 307.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)SCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C14H13NO3S2/c16-12-6-11(18-8-13(12)17)9-20-14(19)15-7-10-4-2-1-3-5-10/h1-6,8,17H,7,9H2,(H,15,19)