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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H17N3O3S/c1-19(10-4-9-17)15(20)11-22-16(21)8-7-14-18-12-5-2-3-6-13(12)23-14/h2-3,5-6H,4,7-8,10-11H2,1H3