S-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methoxyethanethioate

Systemtic Name: S-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methoxyethanethioate Openeye Name: S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methoxyethanethioate CAS Name: 2-methoxyethanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methoxyethanethioate Traditional Name: 2-methoxyethanethioic acid S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)COC

Isomeric SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)COC

InChI

InChI=1S/C22H33NO3S/c1-4-17(5-2)15-22(13-9-6-10-14-22)21(25)23-18-11-7-8-12-19(18)27-20(24)16-26-3/h7-8,11-12,17H,4-6,9-10,13-16H2,1-3H3,(H,23,25)