2-[[5-(4-tert-butylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-tert-butylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C18H17N2O3S2- MolecularWeight: 373.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)[O-]

InChI

InChI=1S/C18H18N2O3S2/c1-18(2,3)11-6-4-10(5-7-11)12-8-24-16-14(12)15(23)19-17(20-16)25-9-13(21)22/h4-8H,9H2,1-3H3,(H,21,22)(H,19,20,23)/p-1