(5-oxidanylidene-1,3-oxathiolan-2-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (5-oxidanylidene-1,3-oxathiolan-2-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (5-oxo-1,3-oxathiolan-2-yl)methyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (5-oxo-1,3-oxathiolan-2-yl)methyl ester IUPAC Name: (5-oxo-1,3-oxathiolan-2-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (5-keto-1,3-oxathiolan-2-yl)methyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1OC(=O)CS1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1OC(=O)CS1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO6S/c1-11(2)15(16(20)22-9-14-24-13(19)10-25-14)18-17(21)23-8-12-6-4-3-5-7-12/h3-7,11,14-15H,8-10H2,1-2H3,(H,18,21)