methyl 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]hexanoate

Systemtic Name: methyl 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]hexanoate Openeye Name: methyl 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]hexanoate CAS Name: 6-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]hexanoate Traditional Name: 6-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]hexanoic acid methyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S2/c1-23-17(22)11-3-2-6-12-19-16(21)10-7-13-24-18-20-14-8-4-5-9-15(14)25-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,21)