S-[[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl] ethanethioate

Systemtic Name: S-[[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl] ethanethioate Openeye Name: S-[[1-(benzyloxycarbonylamino)cyclohexyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl] ester IUPAC Name: S-[[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[1-(benzyloxycarbonylamino)cyclohexyl]methyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1(CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC1(CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-14(19)22-13-17(10-6-3-7-11-17)18-16(20)21-12-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,18,20)