N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide Openeye Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)N2CCSC

InChI

InChI=1S/C19H20N2O4S3/c1-25-14-7-8-17-16(12-14)21(9-10-26-2)19(27-17)20-18(22)13-5-4-6-15(11-13)28(3,23)24/h4-8,11-12H,9-10H2,1-3H3