[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O4S/c1-14(2)12-23-20(25)15(3)27-21(26)17-9-5-4-8-16(17)13-29-22-24-18-10-6-7-11-19(18)28-22/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)/t15-/m0/s1