[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C18H20N2O7S/c1-13-4-6-15(7-5-13)28(24,25)10-8-17(22)27-12-16(21)20-18(23)19-11-14-3-2-9-26-14/h2-7,9H,8,10-12H2,1H3,(H2,19,20,21,23)