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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H12N2O5S2 MolecularWeight: 388.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C17H12N2O5S2/c20-12(10-1-2-13-14(5-10)24-9-23-13)6-22-15(21)7-26-17-11-3-4-25-16(11)18-8-19-17/h1-5,8H,6-7,9H2