N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S3/c1-5-28-13-12-24-19-11-8-17(29-4)14-20(19)30-22(24)23-21(25)16-6-9-18(10-7-16)31(26,27)15(2)3/h6-11,14-15H,5,12-13H2,1-4H3