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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-19(2,3)22-18(25)21-15(23)12-26-17(24)11-7-6-10-16-20-13-8-4-5-9-14(13)27-16/h4-5,8-9H,6-7,10-12H2,1-3H3,(H2,21,22,23,25)