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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H19N3O3S2/c1-20(10-5-9-18)15(21)12-23-16(22)8-4-11-24-17-19-13-6-2-3-7-14(13)25-17/h2-3,6-7H,4-5,8,10-12H2,1H3