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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-11(2)17-14(19)10-21-16(20)9-5-8-15-18-12-6-3-4-7-13(12)22-15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)