methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate

Systemtic Name: methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate Openeye Name: methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate CAS Name: 6-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate Traditional Name: 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S/c1-22-17(21)9-3-2-6-12-18-15(20)10-11-16-19-13-7-4-5-8-14(13)23-16/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,18,20)