(2S)-2-cyano-3-oxidanylidene-N-(phenylmethyl)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-butanamide

Systemtic Name: (2S)-2-cyano-3-oxidanylidene-N-(phenylmethyl)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-butanamide Openeye Name: (2S)-N-benzyl-2-cyano-3-oxo-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-butanamide CAS Name: (2S)-2-cyano-3-oxo-N-(phenylmethyl)-4-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)oxy]butanamide IUPAC Name: (2S)-N-benzyl-2-cyano-3-oxo-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybutanamide Traditional Name: (2S)-N-benzyl-2-cyano-3-keto-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-butyramide Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C#N)C(=O)COC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@@H](C#N)C(=O)COC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4O3S/c25-11-18(22(30)26-12-16-7-3-1-4-8-16)20(29)13-31-23-21-19(17-9-5-2-6-10-17)14-32-24(21)28-15-27-23/h1-10,14-15,18H,12-13H2,(H,26,30)/t18-/m0/s1