S-[[(3aR,4R,6S,6aS)-2,2-dimethyl-4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] ethanethioate

Systemtic Name: S-[[(3aR,4R,6S,6aS)-2,2-dimethyl-4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] ethanethioate Openeye Name: S-[[(3aR,4R,6S,6aS)-2,2-dimethyl-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(3aR,4R,6S,6aS)-2,2-dimethyl-4-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] ester IUPAC Name: S-[[(3aR,4R,6S,6aS)-2,2-dimethyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(3aR,4R,6S,6aS)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] ester Formula: C15H20N2O6S MolecularWeight: 356.3941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C3C(C(O2)CSC(=O)C)OC(O3)(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CSC(=O)C)OC(O3)(C)C

InChI

InChI=1S/C15H20N2O6S/c1-7-5-17(14(20)16-12(7)19)13-11-10(22-15(3,4)23-11)9(21-13)6-24-8(2)18/h5,9-11,13H,6H2,1-4H3,(H,16,19,20)/t9-,10-,11-,13-/m1/s1