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

Systemtic Name: 3-[5-(4-chlorophenyl)-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-chlorophenyl)-2-isopropyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-chlorophenyl)-4-oxo-2-propan-2-yl-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-chlorophenyl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-chlorophenyl)-2-isopropyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C18H16ClN2O3S- MolecularWeight: 375.84924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N1CCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N1CCC(=O)[O-]

InChI

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