S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] ethanethioate Openeye Name: S-[2-[3-(benzyloxycarbonylamino)propanoylamino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ester IUPAC Name: S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(benzyloxycarbonylamino)propanoylamino]ethyl] ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCNC(=O)CCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCNC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H20N2O4S/c1-12(18)22-10-9-16-14(19)7-8-17-15(20)21-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,19)(H,17,20)