[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C17H28N2O5S2 MolecularWeight: 404.54462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C17H28N2O5S2/c1-13(2)6-4-7-14(3)19-15(20)12-24-16(21)9-10-18-26(22,23)17-8-5-11-25-17/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3,(H,19,20)