[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21N3O4S/c1-21(2,3)24-20(27)23-17(25)12-28-19(26)14-9-5-4-8-13(14)18-22-15-10-6-7-11-16(15)29-18/h4-11H,12H2,1-3H3,(H2,23,24,25,27)