[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=C(C=CC=C1CC)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=C(C=CC=C1CC)C

InChI

InChI=1S/C18H28N2O5S/c1-5-7-11-26(23,24)20-14(4)18(22)25-12-16(21)19-17-13(3)9-8-10-15(17)6-2/h8-10,14,20H,5-7,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1