N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[3-(2-methoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-[3-(2-methoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]acetamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CCOC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CCOC

InChI

InChI=1S/C22H26N2O4S3/c1-15(2)31(26,27)18-8-5-16(6-9-18)13-21(25)23-22-24(11-12-28-3)19-10-7-17(29-4)14-20(19)30-22/h5-10,14-15H,11-13H2,1-4H3