N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-4-24-17-13-18(28-2)19(29-3)14-20(17)30-22(24)23-21(25)11-8-12-31(26,27)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3