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

Systemtic Name: S-(4-methylphenyl) (2R)-2-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate Openeye Name: S-(p-tolyl) (2R)-2-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate CAS Name: (2R)-2-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) (2R)-2-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate Traditional Name: (2R)-2-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(p-tolyl) ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C2COC(O2)(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)[C@@H]([C@H]2COC(O2)(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c1-14-9-11-16(12-10-14)27-20(24)18(17-13-25-21(2,3)26-17)22-19(23)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3,(H,22,23)/t17-,18-/m1/s1