[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C18H28N2O5S/c1-6-19-17(22)13(2)25-16(21)11-12-20-26(23,24)15-9-7-14(8-10-15)18(3,4)5/h7-10,13,20H,6,11-12H2,1-5H3,(H,19,22)/t13-/m0/s1