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

Systemtic Name: N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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