[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C19H22N2O6S2/c1-13(2)10-17(23)21-15-7-5-14(6-8-15)16(22)12-27-18(24)11-20-29(25,26)19-4-3-9-28-19/h3-9,13,20H,10-12H2,1-2H3,(H,21,23)