methyl 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoate Openeye Name: methyl 6-[(2-chloro-5-methylsulfanyl-benzoyl)amino]hexanoate CAS Name: 6-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-5-methylsulfanylbenzoyl)amino]hexanoate Traditional Name: 6-[[2-chloro-5-(methylthio)benzoyl]amino]hexanoic acid methyl ester Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C15H20ClNO3S/c1-20-14(18)6-4-3-5-9-17-15(19)12-10-11(21-2)7-8-13(12)16/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)