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

Systemtic Name: 3-[[5-(3-methoxyphenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(3-methoxyphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(3-methoxyphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(3-methoxyphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-5-(3-methoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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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)OC

Isomeric SMILES

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

InChI

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