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

Systemtic Name: 2-[5-(4-tert-butylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[5-(4-tert-butylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-tert-butylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5-(4-tert-butylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-tert-butylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-18(2,3)12-6-4-11(5-7-12)13-9-24-16-15(13)17(23)20(10-19-16)8-14(21)22/h4-7,9-10H,8H2,1-3H3,(H,21,22)/p-1