[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

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