2-[[5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]benzoate

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]benzoate Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]benzoate CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]benzoate IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]benzoate Traditional Name: 2-[(4-keto-6-methyl-5-piperonyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]benzoate Formula: C23H17N2O5S- MolecularWeight: 433.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3C(=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3C(=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

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