4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(tert-amylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C15H20NO3S- MolecularWeight: 294.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C)SC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H](C)SC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c1-5-15(3,4)16-13(17)10(2)20-12-8-6-11(7-9-12)14(18)19/h6-10H,5H2,1-4H3,(H,16,17)(H,18,19)/p-1/t10-/m0/s1