[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18N2O7S MolecularWeight: 394.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-11-5-6-13(27(2,23)24)8-14(11)16(21)26-10-15(20)19-17(22)18-9-12-4-3-7-25-12/h3-8H,9-10H2,1-2H3,(H2,18,19,20,22)