[4-(1,3-dithiolan-2-yl)phenyl] 3-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2,2-dimethylpropanoylamino)propanoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 3-(pivaloylamino)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCCC(=O)OC1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CC(C)(C)C(=O)NCCC(=O)OC1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H23NO3S2/c1-17(2,3)16(20)18-9-8-14(19)21-13-6-4-12(5-7-13)15-22-10-11-23-15/h4-7,15H,8-11H2,1-3H3,(H,18,20)