1,3-benzothiazol-2-ylmethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H15N3O2S2/c1-10-7-11(2)18-16(17-10)22-9-15(20)21-8-14-19-12-5-3-4-6-13(12)23-14/h3-7H,8-9H2,1-2H3