(2R)-2-[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate

Systemtic Name: (2R)-2-[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: (2R)-2-[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: (2R)-2-[5-(4-ethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: (2R)-2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: (2R)-2-(4-keto-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)butyrate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C18H18N2O4S/c1-3-14(18(22)23)20-10-19-16-15(17(20)21)13(9-25-16)11-5-7-12(8-6-11)24-4-2/h5-10,14H,3-4H2,1-2H3,(H,22,23)/p-1/t14-/m1/s1