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

Systemtic Name: 3-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-9-2-4-10(5-3-9)11-8-23-15-13(11)14(21)17-16(18-15)22-7-6-12(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)(H,17,18,21)