N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide

Systemtic Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-[3-ethyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide IUPAC Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-[3-ethyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-3-mesyl-benzamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O3S3/c1-4-20-15-9-8-13(24-2)11-16(15)25-18(20)19-17(21)12-6-5-7-14(10-12)26(3,22)23/h5-11H,4H2,1-3H3