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

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-methoxybenzoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C18H20N4O4S/c1-21-10-9-14(26-16(23)12-5-7-13(25-2)8-6-12)22(18(21)24)17-20-19-15(27-17)11-3-4-11/h5-8,11,14H,3-4,9-10H2,1-2H3