(phenylmethyl) 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S2/c1-14-18(16-10-6-3-7-11-16)19-20(26)23-22(24-21(19)29-14)28-13-17(25)27-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,23,24,26)