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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-11(2)18-17(23)20-14(21)10-24-16(22)9-5-8-15-19-12-6-3-4-7-13(12)25-15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H2,18,20,21,23)