N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OCC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OCC

InChI

InChI=1S/C22H26N2O4S2/c1-3-24-21-18(28-4-2)12-8-13-19(21)29-22(24)23-20(25)14-9-15-30(26,27)16-17-10-6-5-7-11-17/h5-8,10-13H,3-4,9,14-16H2,1-2H3