3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid Formula: C15H12N2O3S2 MolecularWeight: 332.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)O

InChI

InChI=1S/C15H12N2O3S2/c18-11(19)6-7-21-15-16-13(20)12-10(8-22-14(12)17-15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,18,19)(H,16,17,20)