ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfonylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(cyclohexylamino)-2-keto-ethyl]sulfonylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3CCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3CCCCC3

InChI

InChI=1S/C22H29N3O6S2/c1-3-25-17-11-10-15(21(28)31-4-2)12-18(17)32-22(25)24-20(27)14-33(29,30)13-19(26)23-16-8-6-5-7-9-16/h10-12,16H,3-9,13-14H2,1-2H3,(H,23,26)