[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-azanyl-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-azanyl-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-amino-3-(cyclohexylcarbamoyl)isothiazole-5-carboxylate CAS Name: 4-amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate Traditional Name: 4-amino-3-(cyclohexylcarbamoyl)isothiazole-5-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=C(C(=NS1)C(=O)NC2CCCCC2)N

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=C(C(=NS1)C(=O)NC2CCCCC2)N

InChI

InChI=1S/C18H28N4O4S/c1-10(15(23)21-18(2,3)4)26-17(25)14-12(19)13(22-27-14)16(24)20-11-8-6-5-7-9-11/h10-11H,5-9,19H2,1-4H3,(H,20,24)(H,21,23)/t10-/m1/s1