[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-22-11-5-10-18-15(20)12-23-17(21)9-4-8-16-19-13-6-2-3-7-14(13)24-16/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,20)