3-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C13H9N2O3S3- MolecularWeight: 337.41716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-]

InChI

InChI=1S/C13H10N2O3S3/c16-9(17)3-5-20-13-14-11(18)10-7(6-21-12(10)15-13)8-2-1-4-19-8/h1-2,4,6H,3,5H2,(H,16,17)(H,14,15,18)/p-1