[(2R,3S)-2-acetamido-4-phenylmethoxy-3-phenylsulfanyl-butyl] ethanoate

Systemtic Name: [(2R,3S)-2-acetamido-4-phenylmethoxy-3-phenylsulfanyl-butyl] ethanoate Openeye Name: [(2R,3S)-2-acetamido-4-benzyloxy-3-phenylsulfanyl-butyl] acetate CAS Name: acetic acid [(2R,3S)-2-acetamido-4-phenylmethoxy-3-(phenylthio)butyl] ester IUPAC Name: [(2R,3S)-2-acetamido-4-phenylmethoxy-3-phenylsulfanylbutyl] acetate Traditional Name: acetic acid [(2R,3S)-2-acetamido-4-benzoxy-3-(phenylthio)butyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)C)C(COCC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](COC(=O)C)[C@@H](COCC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-16(23)22-20(14-26-17(2)24)21(27-19-11-7-4-8-12-19)15-25-13-18-9-5-3-6-10-18/h3-12,20-21H,13-15H2,1-2H3,(H,22,23)/t20-,21-/m1/s1