methyl 1,1-bis(oxidanylidene)-7-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 1,1-bis(oxidanylidene)-7-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 1,1-dioxo-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 1,1-dioxo-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 1,1-dioxo-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C19H15F3O5S MolecularWeight: 412.37961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OC(F)(F)F)S(=O)(=O)CC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OC(F)(F)F)S(=O)(=O)CC1

InChI

InChI=1S/C19H15F3O5S/c1-26-18(23)14-8-9-28(24,25)17-7-4-13(10-15(17)11-14)12-2-5-16(6-3-12)27-19(20,21)22/h2-7,10-11H,8-9H2,1H3