S-[1-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ethanethioate

Systemtic Name: S-[1-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ethanethioate Openeye Name: S-[2-(benzyloxycarbonylamino)-1-phenyl-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ester IUPAC Name: S-[1-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(benzyloxycarbonylamino)-1-phenyl-ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CNC(=O)OCC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SC(CNC(=O)OCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-14(20)23-17(16-10-6-3-7-11-16)12-19-18(21)22-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,19,21)