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

Systemtic Name: 3-[[5-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(4-methoxy-3-methyl-phenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-methoxy-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-methoxy-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-5-(4-methoxy-3-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C17H16N2O4S2 MolecularWeight: 376.44994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)O)OC

InChI

InChI=1S/C17H16N2O4S2/c1-9-7-10(3-4-12(9)23-2)11-8-25-16-14(11)15(22)18-17(19-16)24-6-5-13(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,18,19,22)