3-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O3S2/c1-9-12(10-5-3-2-4-6-10)13-14(21)17-16(18-15(13)23-9)22-8-7-11(19)20/h2-6H,7-8H2,1H3,(H,19,20)(H,17,18,21)