4-(3-butylsulfanylpropoxycarbonylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(3-butylsulfanylpropoxycarbonylamino)-2-oxidanyl-benzoic acid Openeye Name: 4-(3-butylsulfanylpropoxycarbonylamino)-2-hydroxy-benzoic acid CAS Name: 4-[[3-(butylthio)propoxy-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-(3-butylsulfanylpropoxycarbonylamino)-2-hydroxybenzoic acid Traditional Name: 4-[3-(butylthio)propoxycarbonylamino]-2-hydroxy-benzoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCOC(=O)NC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

CCCCSCCCOC(=O)NC1=CC(=C(C=C1)C(=O)O)O

InChI

InChI=1S/C15H21NO5S/c1-2-3-8-22-9-4-7-21-15(20)16-11-5-6-12(14(18)19)13(17)10-11/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,20)(H,18,19)