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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)SC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-4-7-10(2)16-14(17)11(3)20-13-9-6-5-8-12(13)15(18)19/h5-6,8-11H,4,7H2,1-3H3,(H,16,17)(H,18,19)/p-1/t10-,11-/m0/s1