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

Systemtic Name: ethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-4-25-16(24)12-5-6-13-14(8-12)27-18(21-13)22-15(23)9-26-17-19-10(2)7-11(3)20-17/h5-8H,4,9H2,1-3H3,(H,21,22,23)