[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20N2O6/c1-2-22-21(26)23-20(25)19(15-6-4-3-5-7-15)29-18(24)11-9-14-8-10-16-17(12-14)28-13-27-16/h3-12,19H,2,13H2,1H3,(H2,22,23,25,26)/b11-9+/t19-/m0/s1