N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CCOC)C

InChI

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