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

Systemtic Name: 3-[[5-(3-methoxyphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)O

InChI

InChI=1S/C16H14N2O4S2/c1-22-10-4-2-3-9(7-10)11-8-24-15-13(11)14(21)17-16(18-15)23-6-5-12(19)20/h2-4,7-8H,5-6H2,1H3,(H,19,20)(H,17,18,21)