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

Systemtic Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(cyclohexylamino)-2-keto-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)NC3CCCCC3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)NC3CCCCC3)S2)C

InChI

InChI=1S/C21H27N3O6S2/c1-3-30-20(27)14-9-10-16-17(11-14)31-21(24(16)2)23-19(26)13-32(28,29)12-18(25)22-15-7-5-4-6-8-15/h9-11,15H,3-8,12-13H2,1-2H3,(H,22,25)