S-(4-methylphenyl) (2R)-2-acetamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate

Systemtic Name: S-(4-methylphenyl) (2R)-2-acetamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate Openeye Name: S-(p-tolyl) (2R)-2-acetamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate CAS Name: (2R)-2-acetamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) (2R)-2-acetamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate Traditional Name: (2R)-2-acetamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(p-tolyl) ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C2COC(O2)(C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)[C@@H]([C@H]2COC(O2)(C)C)NC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-10-5-7-12(8-6-10)22-15(19)14(17-11(2)18)13-9-20-16(3,4)21-13/h5-8,13-14H,9H2,1-4H3,(H,17,18)/t13-,14-/m1/s1