methyl 6-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoate CAS Name: 6-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoate Traditional Name: 6-[[3-[(methylthio)methyl]benzoyl]amino]hexanoic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC(=CC=C1)CSC

InChI

InChI=1S/C16H23NO3S/c1-20-15(18)9-4-3-5-10-17-16(19)14-8-6-7-13(11-14)12-21-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,17,19)