6-[(3-methylsulfanylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-methylsulfanylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-methylsulfanylanilino)-6-oxo-hexanoic acid CAS Name: 6-[3-(methylthio)anilino]-6-oxohexanoic acid IUPAC Name: 6-(3-methylsulfanylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-[3-(methylthio)anilino]hexanoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-18-11-6-4-5-10(9-11)14-12(15)7-2-3-8-13(16)17/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)(H,16,17)