[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-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)C1=C(N(C(=C1)C)C2CC2)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)C1=C(N(C(=C1)C)C2CC2)C

InChI

InChI=1S/C18H28N2O5S/c1-5-6-9-26(23,24)19-13(3)18(22)25-11-17(21)16-10-12(2)20(14(16)4)15-7-8-15/h10,13,15,19H,5-9,11H2,1-4H3/t13-/m0/s1