[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC(=O)NC(=O)NCC3=CC=CO3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)OC1

InChI

InChI=1S/C20H20N2O7/c23-18(22-20(25)21-12-15-3-1-8-26-15)13-29-19(24)7-5-14-4-6-16-17(11-14)28-10-2-9-27-16/h1,3-8,11H,2,9-10,12-13H2,(H2,21,22,23,25)/b7-5+