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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O6S2/c1-3-24-16-9-8-15(20(27)30-2)12-17(16)31-21(24)22-18(25)13-32(28,29)14-19(26)23-10-6-4-5-7-11-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3