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

Systemtic Name: ethyl 2-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S2/c1-4-14(18(23)24-5-2)26-19-20-16(22)15-13(10-25-17(15)21-19)12-8-6-11(3)7-9-12/h6-10,14H,4-5H2,1-3H3,(H,20,21,22)