[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)21-17(24)20-14(22)11-25-16(23)10-6-9-15-19-12-7-4-5-8-13(12)26-15/h4-5,7-8H,6,9-11H2,1-3H3,(H2,20,21,22,24)