S-[2-[[2-acetamido-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[2-acetamido-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[(2-acetamido-3-tritylsulfanyl-propanoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[2-acetamido-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]ethyl] ester IUPAC Name: S-[2-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-acetamido-3-(tritylthio)propanoyl]amino]ethyl] ester Formula: C28H30N2O3S2 MolecularWeight: 506.6794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCSC(=O)C

Isomeric SMILES

CC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCSC(=O)C

InChI

InChI=1S/C28H30N2O3S2/c1-21(31)30-26(27(33)29-18-19-34-22(2)32)20-35-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,26H,18-20H2,1-2H3,(H,29,33)(H,30,31)