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

Systemtic Name: methyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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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)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C17H16N4O3S2/c1-9-6-10(2)19-16(18-9)25-8-14(22)21-17-20-12-5-4-11(15(23)24-3)7-13(12)26-17/h4-7H,8H2,1-3H3,(H,20,21,22)