2-methylpropyl (2S,3S)-3-(1,3-benzothiazol-2-ylsulfonylamino)-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: 2-methylpropyl (2S,3S)-3-(1,3-benzothiazol-2-ylsulfonylamino)-2-oxidanyl-3-phenyl-propanoate Openeye Name: isobutyl (2S,3S)-3-(1,3-benzothiazol-2-ylsulfonylamino)-2-hydroxy-3-phenyl-propanoate CAS Name: (2S,3S)-3-(1,3-benzothiazol-2-ylsulfonylamino)-2-hydroxy-3-phenylpropanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S,3S)-3-(1,3-benzothiazol-2-ylsulfonylamino)-2-hydroxy-3-phenylpropanoate Traditional Name: (2S,3S)-3-(1,3-benzothiazol-2-ylsulfonylamino)-2-hydroxy-3-phenyl-propionic acid isobutyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C(C1=CC=CC=C1)NS(=O)(=O)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(C)COC(=O)[C@H]([C@H](C1=CC=CC=C1)NS(=O)(=O)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C20H22N2O5S2/c1-13(2)12-27-19(24)18(23)17(14-8-4-3-5-9-14)22-29(25,26)20-21-15-10-6-7-11-16(15)28-20/h3-11,13,17-18,22-23H,12H2,1-2H3/t17-,18-/m0/s1