[2-(tert-butylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S/c1-18(2,3)20-15(21)12-23-17(22)11-7-6-10-16-19-13-8-4-5-9-14(13)24-16/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,20,21)