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

Systemtic Name: [1-methyl-2-oxidanylidene-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] 3-propoxybenzoate Openeye Name: [1-methyl-2-oxo-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] 3-propoxybenzoate CAS Name: 3-propoxybenzoic acid [1-methyl-2-oxo-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] ester IUPAC Name: [1-methyl-2-oxo-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] 3-propoxybenzoate Traditional Name: 3-propoxybenzoic acid [2-keto-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] ester Formula: C20H26N4O6S2 MolecularWeight: 482.57364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)(=O)CCC)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)(=O)CCC)C

InChI

InChI=1S/C20H26N4O6S2/c1-4-11-29-15-8-6-7-14(13-15)17(25)30-16-9-10-23(3)20(26)24(16)18-21-22-19(31-18)32(27,28)12-5-2/h6-8,13,16H,4-5,9-12H2,1-3H3