ethyl 3-methyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-[2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[2-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-keto-2-(3-methylpiperidino)ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC(C3)C)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC(C3)C)S2)C

InChI

InChI=1S/C21H27N3O6S2/c1-4-30-20(27)15-7-8-16-17(10-15)31-21(23(16)3)22-18(25)12-32(28,29)13-19(26)24-9-5-6-14(2)11-24/h7-8,10,14H,4-6,9,11-13H2,1-3H3