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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S/c1-12(2)10-18-15(20)11-22-17(21)9-5-8-16-19-13-6-3-4-7-14(13)23-16/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,20)