2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: 2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]acetate IUPAC Name: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]acetate Formula: C13H13N2O2S2- MolecularWeight: 293.38452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)[O-]

InChI

InChI=1S/C13H14N2O2S2/c1-7-14-12(18-6-10(16)17)11-8-4-2-3-5-9(8)19-13(11)15-7/h2-6H2,1H3,(H,16,17)/p-1