methyl 7-[4-(1,3-benzothiazol-2-yl)butanoylamino]heptanoate

Systemtic Name: methyl 7-[4-(1,3-benzothiazol-2-yl)butanoylamino]heptanoate Openeye Name: methyl 7-[4-(1,3-benzothiazol-2-yl)butanoylamino]heptanoate CAS Name: 7-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[4-(1,3-benzothiazol-2-yl)butanoylamino]heptanoate Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)butanoylamino]enanthic acid methyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCCCCNC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H26N2O3S/c1-24-19(23)13-4-2-3-7-14-20-17(22)11-8-12-18-21-15-9-5-6-10-16(15)25-18/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,20,22)