2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-oxo-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c1-13-7-9-14(10-8-13)16-11-27-19-18(16)20(26)23(15-5-3-2-4-6-15)21(22-19)28-12-17(24)25/h2-11H,12H2,1H3,(H,24,25)