1,3-benzodioxol-5-yl 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid 1,3-benzodioxol-5-yl ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N2O5S/c1-14-2-4-15(5-3-14)17-11-31-22-21(17)23(27)25(12-24-22)9-8-20(26)30-16-6-7-18-19(10-16)29-13-28-18/h2-7,10-12H,8-9,13H2,1H3