3-(2-butylsulfanylethoxycarbonylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 3-(2-butylsulfanylethoxycarbonylamino)-2-oxidanyl-benzoic acid Openeye Name: 3-(2-butylsulfanylethoxycarbonylamino)-2-hydroxy-benzoic acid CAS Name: 3-[[2-(butylthio)ethoxy-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 3-(2-butylsulfanylethoxycarbonylamino)-2-hydroxybenzoic acid Traditional Name: 3-[2-(butylthio)ethoxycarbonylamino]-2-hydroxy-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC(=O)NC1=CC=CC(=C1O)C(=O)O

Isomeric SMILES

CCCCSCCOC(=O)NC1=CC=CC(=C1O)C(=O)O

InChI

InChI=1S/C14H19NO5S/c1-2-3-8-21-9-7-20-14(19)15-11-6-4-5-10(12(11)16)13(17)18/h4-6,16H,2-3,7-9H2,1H3,(H,15,19)(H,17,18)