2-methylbut-3-yn-2-yl 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 2-methylbut-3-yn-2-yl 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate Openeye Name: 1,1-dimethylprop-2-ynyl 5-(1,3-benzothiazol-2-ylamino)-5-oxo-pentanoate CAS Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid 2-methylbut-3-yn-2-yl ester IUPAC Name: 2-methylbut-3-yn-2-yl 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoate Traditional Name: 5-(1,3-benzothiazol-2-ylamino)-5-keto-valeric acid 1,1-dimethylprop-2-ynyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)OC(=O)CCCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C#C)OC(=O)CCCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H18N2O3S/c1-4-17(2,3)22-15(21)11-7-10-14(20)19-16-18-12-8-5-6-9-13(12)23-16/h1,5-6,8-9H,7,10-11H2,2-3H3,(H,18,19,20)