[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C=CC1=NC2=CC=CC=C2O1

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)/C=C/C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C18H21N3O5/c1-11(16(23)20-17(24)21-18(2,3)4)25-15(22)10-9-14-19-12-7-5-6-8-13(12)26-14/h5-11H,1-4H3,(H2,20,21,23,24)/b10-9+/t11-/m0/s1