(2R)-2-(2,6-dimethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: (2R)-2-(2,6-dimethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: (2R)-2-(2,6-dimethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: (2R)-2-(2,6-dimethyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)propanoic acid IUPAC Name: (2R)-2-(2,6-dimethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: (2R)-2-(4-keto-2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C(C)C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)[C@H](C)C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S/c1-9(17(21)22)19-11(3)18-15-14(16(19)20)13(10(2)23-15)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,21,22)/t9-/m1/s1