methyl 4-(4-cyclohexyl-5-oxidanylidene-1,3,4-thiadiazin-2-yl)benzoate

Systemtic Name: methyl 4-(4-cyclohexyl-5-oxidanylidene-1,3,4-thiadiazin-2-yl)benzoate Openeye Name: methyl 4-(4-cyclohexyl-5-oxo-1,3,4-thiadiazin-2-yl)benzoate CAS Name: 4-(4-cyclohexyl-5-oxo-1,3,4-thiadiazin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-cyclohexyl-5-oxo-1,3,4-thiadiazin-2-yl)benzoate Traditional Name: 4-(4-cyclohexyl-5-keto-1,3,4-thiadiazin-2-yl)benzoic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C(=O)CS2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C(=O)CS2)C3CCCCC3

InChI

InChI=1S/C17H20N2O3S/c1-22-17(21)13-9-7-12(8-10-13)16-18-19(15(20)11-23-16)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3