[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-13(19(25)24-21(27)23-16-11-7-4-8-12-16)28-20(26)18-17(22-14(2)29-18)15-9-5-3-6-10-15/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3,(H2,23,24,25,27)/t13-/m0/s1