N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H19ClN2O6S MolecularWeight: 438.88196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H19ClN2O6S/c1-26-14-9-12(16(22(24)25)18(28-3)17(14)27-2)19(23)21-13-6-7-29-15-5-4-10(20)8-11(13)15/h4-5,8-9,13H,6-7H2,1-3H3,(H,21,23)