N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-besyl-N-[3-(2-ethoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S3/c1-3-28-14-13-24-19-12-11-17(29-2)16-20(19)30-22(24)23-21(25)10-7-15-31(26,27)18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,3,7,10,13-15H2,1-2H3