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

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

CC(C(=O)O)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C15H12N2O3S2/c1-8(14(19)20)22-15-16-12(18)11-10(7-21-13(11)17-15)9-5-3-2-4-6-9/h2-8H,1H3,(H,19,20)(H,16,17,18)