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

Systemtic Name: methyl 2-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[4-keto-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]butyric acid methyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1

Isomeric SMILES

CCC(C(=O)OC)SC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1

InChI

InChI=1S/C18H18N2O3S2/c1-4-13(17(22)23-3)25-18-19-15(21)14-12(9-24-16(14)20-18)11-7-5-10(2)6-8-11/h5-9,13H,4H2,1-3H3,(H,19,20,21)