N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-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=C(C=C2)OCC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

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