(2R)-1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-3,5-dihydro-2H-pyrano[4,3-d]pyrimidin-3-ium-4-thiolate

Systemtic Name: (2R)-1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-3,5-dihydro-2H-pyrano[4,3-d]pyrimidin-3-ium-4-thiolate Openeye Name: (2R)-1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-3,5-dihydro-2H-pyrano[4,3-d]pyrimidin-3-ium-4-thiolate CAS Name: (2R)-1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-3,5-dihydro-2H-pyrano[4,3-d]pyrimidin-3-ium-4-thiolate IUPAC Name: (2R)-1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-3,5-dihydro-2H-pyrano[4,3-d]pyrimidin-3-ium-4-thiolate Traditional Name: (2R)-1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-3,5-dihydro-2H-pyrano[4,3-d]pyrimidin-3-ium-4-thiolate Formula: C18H24N2O2S MolecularWeight: 332.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C2C(=C([NH2+]C(N2CCOC)C3=CC=CC=C3)[S-])CO1)C

Isomeric SMILES

CC1(C=C2C(=C([NH2+][C@H](N2CCOC)C3=CC=CC=C3)[S-])CO1)C

InChI

InChI=1S/C18H24N2O2S/c1-18(2)11-15-14(12-22-18)17(23)19-16(20(15)9-10-21-3)13-7-5-4-6-8-13/h4-8,11,16,19,23H,9-10,12H2,1-3H3/t16-/m1/s1