S-[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl] ethanethioate

Systemtic Name: S-[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl] ethanethioate Openeye Name: S-[(1R,2S)-2-(benzyloxycarbonylamino)cyclohexyl] ethanethioate CAS Name: ethanethioic acid S-[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl] ester IUPAC Name: S-[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl] ethanethioate Traditional Name: ethanethioic acid S-[(1R,2S)-2-(benzyloxycarbonylamino)cyclohexyl] ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCCCC1NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)S[C@@H]1CCCC[C@@H]1NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c1-12(18)21-15-10-6-5-9-14(15)17-16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H,17,19)/t14-,15+/m0/s1