1,3-benzodioxol-5-yl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H16N2O4S2/c1-9-10(2)26-18-16(9)17(19-11(3)20-18)25-7-15(21)24-12-4-5-13-14(6-12)23-8-22-13/h4-6H,7-8H2,1-3H3