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

Systemtic Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-hexoxybenzoate Openeye Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCCC4)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCCC4)C

InChI

InChI=1S/C27H38N4O4S/c1-3-4-5-10-19-34-22-15-13-21(14-16-22)25(32)35-23-17-18-30(2)27(33)31(23)26-29-28-24(36-26)20-11-8-6-7-9-12-20/h13-16,20,23H,3-12,17-19H2,1-2H3