2-ethoxyethyl 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 2-ethoxyethyl 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 2-ethoxyethyl 2-[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid 2-ethoxyethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)OCCOCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)OCCOCC

InChI

InChI=1S/C21H24N2O4S/c1-4-15-6-8-16(9-7-15)17-12-28-19-18(17)20(24)23(13-22-19)14(3)21(25)27-11-10-26-5-2/h6-9,12-14H,4-5,10-11H2,1-3H3