(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

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