4-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C15H20NO3S- MolecularWeight: 294.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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