N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)C

InChI

InChI=1S/C20H22N2O4S2/c1-3-26-15-11-12-17-18(14-15)27-20(22(17)2)21-19(23)10-7-13-28(24,25)16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3