methyl 2-[[2-(2-cyclohexylethanoylamino)-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-cyclohexylethanoylamino)-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(2-cyclohexylacetyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-[(2-cyclohexyl-1-oxoethyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-5-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-cyclohexylacetyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(2-cyclohexylacetyl)amino]-7-keto-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3CCCCC3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3CCCCC3

InChI

InChI=1S/C22H31N3O5S2/c1-30-21(29)15(8-9-31-2)23-20(28)14-11-16-19(17(26)12-14)32-22(24-16)25-18(27)10-13-6-4-3-5-7-13/h13-15H,3-12H2,1-2H3,(H,23,28)(H,24,25,27)