N-[3-(2-methoxyethyl)-4,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-4,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-4,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-4,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide IUPAC Name: N-[3-(2-methoxyethyl)-4,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[3-(2-methoxyethyl)-4,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N2CCOC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N2CCOC

InChI

InChI=1S/C20H22N2O4S2/c1-13-5-6-14(2)18-17(13)22(11-12-26-3)20(27-18)21-19(23)15-7-9-16(10-8-15)28(4,24)25/h5-10H,11-12H2,1-4H3