O-heptyl N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate

Systemtic Name: O-heptyl N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate Openeye Name: O-heptyl N-(3-methyl-1,1-dioxo-thiolan-3-yl)carbamothioate CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)carbamothioic acid O-heptyl ester IUPAC Name: O-heptyl N-(3-methyl-1,1-dioxothiolan-3-yl)carbamothioate Traditional Name: N-(1,1-diketo-3-methyl-thiolan-3-yl)thiocarbamic acid O-heptyl ester Formula: C13H25NO3S2 MolecularWeight: 307.4725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=S)NC1(CCS(=O)(=O)C1)C

Isomeric SMILES

CCCCCCCOC(=S)NC1(CCS(=O)(=O)C1)C

InChI

InChI=1S/C13H25NO3S2/c1-3-4-5-6-7-9-17-12(18)14-13(2)8-10-19(15,16)11-13/h3-11H2,1-2H3,(H,14,18)