S-[2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[benzyloxycarbonyl-[3-(benzyloxycarbonylamino)propyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ester IUPAC Name: S-[2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(benzyloxycarbonylamino)propyl-carbobenzoxy-amino]ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCN(CCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-19(26)31-16-15-25(23(28)30-18-21-11-6-3-7-12-21)14-8-13-24-22(27)29-17-20-9-4-2-5-10-20/h2-7,9-12H,8,13-18H2,1H3,(H,24,27)