N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)N2CCOC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)N2CCOC

InChI

InChI=1S/C21H24N2O4S2/c1-15-11-18-19(12-16(15)2)28-21(23(18)9-10-27-3)22-20(24)14-29(25,26)13-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13-14H2,1-3H3