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

Systemtic Name: methyl 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

COC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C17H14N2O5S2/c1-22-14(20)8-26-17-18-11-4-5-25-15(11)16(21)19(17)7-10-2-3-12-13(6-10)24-9-23-12/h2-6H,7-9H2,1H3