(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=NC=NC4=C3C=CS4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=NC=NC4=C3C=CS4)Cl

InChI

InChI=1S/C17H13ClN2O4S2/c18-12-3-10-5-22-9-24-15(10)11(4-12)6-23-14(21)7-26-17-13-1-2-25-16(13)19-8-20-17/h1-4,8H,5-7,9H2