ethyl 2-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H20N4O5S2/c1-4-28-18(27)13-5-6-14-15(8-13)31-20(23-14)24-16(25)9-29-17(26)10-30-19-21-11(2)7-12(3)22-19/h5-8H,4,9-10H2,1-3H3,(H,23,24,25)