2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetic acid IUPAC Name: 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]acetic acid Formula: C13H10N2O3S3 MolecularWeight: 338.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC(=O)O

InChI

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