[3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-ethoxybenzoate

Systemtic Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-ethoxybenzoate Openeye Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [3-(5-esyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H22N4O6S2 MolecularWeight: 454.52048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)(=O)CC)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)(=O)CC)C

InChI

InChI=1S/C18H22N4O6S2/c1-4-27-13-9-7-6-8-12(13)15(23)28-14-10-11-21(3)18(24)22(14)16-19-20-17(29-16)30(25,26)5-2/h6-9,14H,4-5,10-11H2,1-3H3