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

Systemtic Name: [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-ethylbenzoate Openeye Name: [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-ethylbenzoate CAS Name: 3-ethylbenzoic acid [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 3-ethylbenzoate Traditional Name: 3-ethylbenzoic acid [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)OCC)C

InChI

InChI=1S/C18H22N4O4S/c1-4-12-7-6-8-13(11-12)15(23)26-14-9-10-21(3)18(24)22(14)16-19-20-17(27-16)25-5-2/h6-8,11,14H,4-5,9-10H2,1-3H3