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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H19N3O3S/c1-20(11-5-10-18)16(21)12-23-17(22)9-4-8-15-19-13-6-2-3-7-14(13)24-15/h2-3,6-7H,4-5,8-9,11-12H2,1H3