ethyl 2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: ethyl 2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 2-[(4-keto-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2

InChI

InChI=1S/C18H20N2O3S2/c1-3-14(17(22)23-4-2)25-18-19-13-10-11-24-15(13)16(21)20(18)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3