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

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 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-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 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-benzoxazol-2-ylmethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OCC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OCC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C19H17N3O3S2/c1-10-11(2)27-19-17(10)18(20-12(3)21-19)26-9-16(23)24-8-15-22-13-6-4-5-7-14(13)25-15/h4-7H,8-9H2,1-3H3