2-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C16H20NO3S- MolecularWeight: 306.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H21NO3S/c1-11(15(18)17-12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)16(19)20/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)(H,19,20)/p-1/t11-/m0/s1