3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanoic acid

Systemtic Name: 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanoic acid Openeye Name: 3-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)propanoic acid CAS Name: 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)propanoic acid IUPAC Name: 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanoic acid Traditional Name: 3-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)propionic acid Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCCC(=O)O

InChI

InChI=1S/C13H14N2O2S2/c16-10(17)5-6-18-12-11-8-3-1-2-4-9(8)19-13(11)15-7-14-12/h7H,1-6H2,(H,16,17)