[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C14H16N4O3S/c1-8-4-9(2)18-14(17-8)22-7-13(20)21-6-12(19)11(5-15)10(3)16/h4H,6-7,16H2,1-3H3/b11-10+