[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H24N2O4S/c1-13(18(23)20-11-14-7-3-2-4-8-14)24-17(22)12-26-19-21-15-9-5-6-10-16(15)25-19/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)/t13-/m0/s1