methyl 4-[[(2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2R)-3-methyl-2-(2-thienylsulfonylamino)butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2R)-3-methyl-1-oxo-2-(thiophen-2-ylsulfonylamino)butoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2R)-3-methyl-2-(2-thienylsulfonylamino)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H21NO6S2/c1-12(2)16(19-27(22,23)15-5-4-10-26-15)18(21)25-11-13-6-8-14(9-7-13)17(20)24-3/h4-10,12,16,19H,11H2,1-3H3/t16-/m1/s1