[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2)/N

InChI

InChI=1S/C14H12N4O3S2/c1-8(16)10(4-15)11(19)5-21-12(20)6-23-14-9-2-3-22-13(9)17-7-18-14/h2-3,7H,5-6,16H2,1H3/b10-8+