[2-acetyloxy-4-(1-methyl-4-methylsulfanyl-thieno[2,3-d]pyrimidin-1-ium-6-yl)phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-(1-methyl-4-methylsulfanyl-thieno[2,3-d]pyrimidin-1-ium-6-yl)phenyl] ethanoate Openeye Name: [2-acetoxy-4-(1-methyl-4-methylsulfanyl-thieno[2,3-d]pyrimidin-1-ium-6-yl)phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[1-methyl-4-(methylthio)-6-thieno[2,3-d]pyrimidin-1-iumyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-(1-methyl-4-methylsulfanylthieno[2,3-d]pyrimidin-1-ium-6-yl)phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[1-methyl-4-(methylthio)thieno[2,3-d]pyrimidin-1-ium-6-yl]phenyl] ester Formula: C18H17N2O4S2+ MolecularWeight: 389.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(N=C[N+](=C3S2)C)SC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(N=C[N+](=C3S2)C)SC)OC(=O)C

InChI

InChI=1S/C18H17N2O4S2/c1-10(21)23-14-6-5-12(7-15(14)24-11(2)22)16-8-13-17(25-4)19-9-20(3)18(13)26-16/h5-9H,1-4H3/q+1