2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3)S2)C

InChI

InChI=1S/C20H27N3O5S2/c1-3-28-15-8-9-16-17(12-15)29-20(22(16)2)21-18(24)13-30(26,27)14-19(25)23-10-6-4-5-7-11-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3