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

Systemtic Name: 2-methylpropyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: isobutyl 2-[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyric acid isobutyl ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(C)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)OCC(C)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-4-16(20(25)26-9-12(2)3)23-11-22-18-17(19(23)24)15(10-27-18)13-5-7-14(21)8-6-13/h5-8,10-12,16H,4,9H2,1-3H3