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

Systemtic Name: 4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)SC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-4-9-15-13(16)10(2)19-12-7-5-11(6-8-12)14(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1