methyl 4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C19H18N2O4S2/c1-11-12(2)27-18-16(11)17(20-10-21-18)26-9-15(22)25-8-13-4-6-14(7-5-13)19(23)24-3/h4-7,10H,8-9H2,1-3H3