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

Systemtic Name: methyl 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: methyl 2-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid methyl ester IUPAC Name: methyl 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-4-14(18(22)23-3)20-10-19-16-15(17(20)21)13(9-24-16)12-7-5-11(2)6-8-12/h5-10,14H,4H2,1-3H3