ethyl (2S)-2-acetamido-3-[4-(2,2-dimethylpropoxysulfonylmethyl)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-acetamido-3-[4-(2,2-dimethylpropoxysulfonylmethyl)phenyl]propanoate Openeye Name: ethyl (2S)-2-acetamido-3-[4-(2,2-dimethylpropoxysulfonylmethyl)phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-(2,2-dimethylpropoxysulfonylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-3-[4-(2,2-dimethylpropoxysulfonylmethyl)phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-(neopentyloxysulfonylmethyl)phenyl]propionic acid ethyl ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)CS(=O)(=O)OCC(C)(C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)CS(=O)(=O)OCC(C)(C)C)NC(=O)C

InChI

InChI=1S/C19H29NO6S/c1-6-25-18(22)17(20-14(2)21)11-15-7-9-16(10-8-15)12-27(23,24)26-13-19(3,4)5/h7-10,17H,6,11-13H2,1-5H3,(H,20,21)/t17-/m0/s1