(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-12(2)17(23-16(24)10-13-6-4-3-5-7-13)20(26)27-11-15-21-14-8-9-28-18(14)19(25)22-15/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)(H,21,22,25)/t17-/m0/s1