4-[bis(fluoranyl)methoxy]-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxy-2-nitro-benzamide

Systemtic Name: 4-[bis(fluoranyl)methoxy]-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxy-2-nitro-benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide Formula: C18H15ClF2N2O5S MolecularWeight: 444.836906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF2N2O5S/c1-27-14-7-11(13(23(25)26)8-15(14)28-18(20)21)17(24)22-12-4-5-29-16-3-2-9(19)6-10(12)16/h2-3,6-8,12,18H,4-5H2,1H3,(H,22,24)