S-(octadecoxymethyl) 5-methoxy-2-methyl-1,1-bis(oxidanylidene)-1,2,4,6-thiatriazine-3-carbothioate

Systemtic Name: S-(octadecoxymethyl) 5-methoxy-2-methyl-1,1-bis(oxidanylidene)-1,2,4,6-thiatriazine-3-carbothioate Openeye Name: S-(octadecoxymethyl) 5-methoxy-2-methyl-1,1-dioxo-1,2,4,6-thiatriazine-3-carbothioate CAS Name: 5-methoxy-2-methyl-1,1-dioxo-1,2,4,6-thiatriazine-3-carbothioic acid S-(octadecoxymethyl) ester IUPAC Name: S-(octadecoxymethyl) 5-methoxy-2-methyl-1,1-dioxo-1,2,4,6-thiatriazine-3-carbothioate Traditional Name: 1,1-diketo-5-methoxy-2-methyl-1,2,4,6-thiatriazine-3-carbothioic acid S-(stearyloxymethyl) ester Formula: C24H45N3O5S2 MolecularWeight: 519.7612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCSC(=O)C1=NC(=NS(=O)(=O)N1C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCSC(=O)C1=NC(=NS(=O)(=O)N1C)OC

InChI

InChI=1S/C24H45N3O5S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-21-33-23(28)22-25-24(31-3)26-34(29,30)27(22)2/h4-21H2,1-3H3