3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-ethylsulfonyl-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-esyl-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H22N2O5S4 MolecularWeight: 498.65908

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

InChI

InChI=1S/C20H22N2O5S4/c1-4-31(26,27)16-7-5-6-14(12-16)19(23)21-20-22(10-11-28-2)17-9-8-15(30(3,24)25)13-18(17)29-20/h5-9,12-13H,4,10-11H2,1-3H3