ethyl 4-[(2R)-3-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-3-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(COC3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[C@H](COC3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C20H22N2O5S/c1-3-16-9-17-18(28-16)21-12-22(19(17)24)10-14(23)11-27-15-7-5-13(6-8-15)20(25)26-4-2/h5-9,12,14,23H,3-4,10-11H2,1-2H3/t14-/m1/s1