N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-tosyl-propionamide Formula: C22H26N2O5S3 MolecularWeight: 494.64724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCSC

InChI

InChI=1S/C22H26N2O5S3/c1-15-5-7-16(8-6-15)32(26,27)12-9-21(25)23-22-24(10-11-30-4)17-13-18(28-2)19(29-3)14-20(17)31-22/h5-8,13-14H,9-12H2,1-4H3