S-methyl 3,5-bis(oxidanylidene)-4-propanoyl-cyclohexane-1-carbothioate

Systemtic Name: S-methyl 3,5-bis(oxidanylidene)-4-propanoyl-cyclohexane-1-carbothioate Openeye Name: S-methyl 3,5-dioxo-4-propanoyl-cyclohexanecarbothioate CAS Name: 3,5-dioxo-4-(1-oxopropyl)-1-cyclohexanecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3,5-dioxo-4-propanoylcyclohexane-1-carbothioate Traditional Name: 3,5-diketo-4-propionyl-cyclohexanecarbothioic acid S-methyl ester Formula: C11H14O4S MolecularWeight: 242.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)C(=O)SC

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)C(=O)SC

InChI

InChI=1S/C11H14O4S/c1-3-7(12)10-8(13)4-6(5-9(10)14)11(15)16-2/h6,10H,3-5H2,1-2H3