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

Systemtic Name: 3-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)SCCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)SCCC(=O)O)C

InChI

InChI=1S/C17H16N2O3S2/c1-9-3-5-11(6-4-9)13-10(2)24-16-14(13)15(22)18-17(19-16)23-8-7-12(20)21/h3-6H,7-8H2,1-2H3,(H,20,21)(H,18,19,22)