N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H20N2O5S3 MolecularWeight: 464.5782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N2O5S3/c1-28-10-7-22-15-5-4-14(30(2,24)25)12-18(15)29-20(22)21-19(23)13-3-6-16-17(11-13)27-9-8-26-16/h3-6,11-12H,7-10H2,1-2H3