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

Systemtic Name: 3-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-2-11-3-5-12(6-4-11)13-9-23-16-15(13)17(22)19(10-18-16)8-7-14(20)21/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)/p-1