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

Systemtic Name: tert-butyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: tert-butyl 2-[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid tert-butyl ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S/c1-18(2,3)24-14(22)8-21-10-20-16-15(17(21)23)13(9-25-16)11-4-6-12(19)7-5-11/h4-7,9-10H,8H2,1-3H3