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

Systemtic Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O6S2/c1-22-15-8-7-14(19(26)29-2)11-16(15)30-20(22)21-17(24)12-31(27,28)13-18(25)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,12-13H2,1-2H3