N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CCOC

InChI

InChI=1S/C19H20N2O4S2/c1-13-4-9-16-17(12-13)26-19(21(16)10-11-25-2)20-18(22)14-5-7-15(8-6-14)27(3,23)24/h4-9,12H,10-11H2,1-3H3