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

Systemtic Name: ethyl 4-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: ethyl 4-[(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C18H18N2O3S/c1-3-14-9-15-16(24-14)19-11-20(17(15)21)10-12-5-7-13(8-6-12)18(22)23-4-2/h5-9,11H,3-4,10H2,1-2H3