[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H21N3O6S2 MolecularWeight: 391.46304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C14H21N3O6S2/c1-2-3-7-15-14(20)17-11(18)10-23-12(19)6-8-16-25(21,22)13-5-4-9-24-13/h4-5,9,16H,2-3,6-8,10H2,1H3,(H2,15,17,18,20)