2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylate IUPAC Name: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylate Formula: C16H13N4O3S2- MolecularWeight: 373.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C16H14N4O3S2/c1-8-5-9(2)18-15(17-8)24-7-13(21)20-16-19-11-4-3-10(14(22)23)6-12(11)25-16/h3-6H,7H2,1-2H3,(H,22,23)(H,19,20,21)/p-1