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

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-azanyl-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-amino-3-(cyclohexylcarbamoyl)isothiazole-5-carboxylate CAS Name: 4-amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-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-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

InChI

InChI=1S/C20H30N4O4S/c1-12(18(25)22-13-8-4-2-5-9-13)28-20(27)17-15(21)16(24-29-17)19(26)23-14-10-6-3-7-11-14/h12-14H,2-11,21H2,1H3,(H,22,25)(H,23,26)/t12-/m1/s1