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

Systemtic Name: 2-[[5-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-methoxy-5-methyl-phenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-methoxy-5-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-methoxy-5-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-5-(2-methoxy-5-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S2/c1-8-3-4-11(22-2)9(5-8)10-6-23-15-13(10)14(21)17-16(18-15)24-7-12(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,17,18,21)