(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c24-18(13-27-15-9-5-2-6-10-15)26-11-17-22-20(25)19-16(12-28-21(19)23-17)14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,22,23,25)