[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC#C

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC#C

InChI

InChI=1S/C16H17N3O6S/c1-3-8-17-16(22)19-14(20)11-25-15(21)12-6-5-7-13(10-12)26(23,24)18-9-4-2/h2-3,5-7,10,18H,1,8-9,11H2,(H2,17,19,20,22)