[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylsulfanylimidazol-1-yl)benzoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylsulfanylimidazol-1-yl)benzoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 3-(2-methylsulfanylimidazol-1-yl)benzoate CAS Name: 3-[2-(methylthio)-1-imidazolyl]benzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 3-(2-methylsulfanylimidazol-1-yl)benzoate Traditional Name: 3-[2-(methylthio)imidazol-1-yl]benzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CN=C4SC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CN=C4SC

InChI

InChI=1S/C22H20N4O3S2/c1-3-25(22-24-17-9-4-5-10-18(17)31-22)19(27)14-29-20(28)15-7-6-8-16(13-15)26-12-11-23-21(26)30-2/h4-13H,3,14H2,1-2H3