[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H22N2O6/c1-3-12(2)19-18(23)20-16(21)11-26-17(22)7-5-13-4-6-14-15(10-13)25-9-8-24-14/h4-7,10,12H,3,8-9,11H2,1-2H3,(H2,19,20,21,23)/b7-5+/t12-/m0/s1