1,3-benzothiazol-2-ylmethyl 3-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(2,2-dimethylpropanoylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(2,2-dimethylpropanoylamino)propanoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 3-(pivaloylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCCC(=O)OCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)C(=O)NCCC(=O)OCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O3S/c1-16(2,3)15(20)17-9-8-14(19)21-10-13-18-11-6-4-5-7-12(11)22-13/h4-7H,8-10H2,1-3H3,(H,17,20)