S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methoxyethanethioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methoxyethanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-methoxyethanethioate CAS Name: 2-methoxyethanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methoxyethanethioate Traditional Name: 2-methoxyethanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)COC

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)COC

InChI

InChI=1S/C21H31NO3S/c1-16(2)11-14-21(12-7-4-8-13-21)20(24)22-17-9-5-6-10-18(17)26-19(23)15-25-3/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3,(H,22,24)