[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C23H23N3O6S2 MolecularWeight: 501.57522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C23H23N3O6S2/c1-15-11-16(2)25-23(24-15)33-14-18-12-20(27)21(13-31-18)32-22(28)17-5-7-19(8-6-17)34(29,30)26-9-3-4-10-26/h5-8,11-13H,3-4,9-10,14H2,1-2H3