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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9(2)8-15-13(16)10(3)19-12-6-4-11(5-7-12)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1