3-[[2-(butylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[2-(butylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 3-[[2-(butylamino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(butylamino)-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 3-[[2-(butylamino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(butylamino)-2-keto-ethyl]thio]methyl]benzoate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSCC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSCC1=CC=CC(=C1)C(=O)[O-]

InChI

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