[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C16H16N4O4S/c1-8-10(3)25-15-14(8)16(23)20(7-19-15)5-13(22)24-6-12(21)11(4-17)9(2)18/h7,11,18H,5-6H2,1-3H3/t11-/m1/s1