[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-diethoxyphenyl)-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-(3,4-diethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-diethoxyphenyl)acrylic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)OCC

InChI

InChI=1S/C21H30N2O6/c1-7-27-16-11-9-15(13-17(16)28-8-2)10-12-18(24)29-14(3)19(25)22-20(26)23-21(4,5)6/h9-14H,7-8H2,1-6H3,(H2,22,23,25,26)/b12-10+/t14-/m0/s1