[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C#CCNC(=O)COC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H18N2O3S/c1-2-11-18-15(20)12-22-17(21)10-6-5-9-16-19-13-7-3-4-8-14(13)23-16/h1,3-4,7-8H,5-6,9-12H2,(H,18,20)