[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S/c1-3-7-13(2)19-16(21)12-23-18(22)11-6-10-17-20-14-8-4-5-9-15(14)24-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21)/t13-/m0/s1