N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide Formula: C22H26N2O5S3 MolecularWeight: 494.64724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S3/c1-14(2)32(26,27)16-8-6-15(7-9-16)21(25)23-22-24(10-11-30-5)17-12-18(28-3)19(29-4)13-20(17)31-22/h6-9,12-14H,10-11H2,1-5H3