[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S/c1-11(16(21)19-17(2,3)4)22-15(20)10-9-14-18-12-7-5-6-8-13(12)23-14/h5-8,11H,9-10H2,1-4H3,(H,19,21)