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

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-oxo-1-(pentylamino)propan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C15H20NO3S- MolecularWeight: 294.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)SC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCNC(=O)[C@H](C)SC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c1-3-4-7-10-16-14(17)11(2)20-13-9-6-5-8-12(13)15(18)19/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1