[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)COCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)COCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O4S/c1-3-12(4-2)18-15(20)9-23-17(21)11-22-10-16-19-13-7-5-6-8-14(13)24-16/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20)