N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-ethyl-4-methoxy-7-methyl-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)C)OC

Isomeric SMILES

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

InChI

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