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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-8-6-10(4-5-11(8)23-3)13-9(2)25-16-14(13)15(22)18-17(19-16)24-7-12(20)21/h4-6H,7H2,1-3H3,(H,20,21)(H,18,19,22)