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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C16H21NO7S MolecularWeight: 371.40544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H21NO7S/c1-3-4-7-25(20,21)17-11(2)16(19)22-9-13(18)12-5-6-14-15(8-12)24-10-23-14/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3/t11-/m0/s1