[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetate CAS Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CSCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CSCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)/N

InChI

InChI=1S/C21H18N4O4S2/c1-12(23)14(7-22)16(26)8-29-18(27)11-30-10-17-24-20(28)19-15(9-31-21(19)25-17)13-5-3-2-4-6-13/h2-6,9H,8,10-11,23H2,1H3,(H,24,25,28)/b14-12+