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

Systemtic Name: ethyl 2-[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: ethyl 2-[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-ethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-(4-keto-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCC

InChI

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