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

Systemtic Name: 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: 2-[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: 2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(CC)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(CC)C(=O)[O-]

InChI

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