methyl 6-[2-(benzenecarbonothioylsulfanyl)ethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(benzenecarbonothioylsulfanyl)ethanoylamino]hexanoate Openeye Name: methyl 6-[[2-(benzenecarbonothioylsulfanyl)acetyl]amino]hexanoate CAS Name: 6-[[2-(benzenecarbonothioylthio)-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(benzenecarbonothioylsulfanyl)acetyl]amino]hexanoate Traditional Name: 6-[[2-(benzenecarbonothioylthio)acetyl]amino]hexanoic acid methyl ester Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S2/c1-20-15(19)10-6-3-7-11-17-14(18)12-22-16(21)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,18)