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

Systemtic Name: 2-methylpropyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O3S/c1-11(2)8-24-15(22)7-21-10-20-17-16(18(21)23)14(9-25-17)12-3-5-13(19)6-4-12/h3-6,9-11H,7-8H2,1-2H3