methyl 4-[1,1-bis(oxidanylidene)-2H-thiochromen-4-yl]benzoate

Systemtic Name: methyl 4-[1,1-bis(oxidanylidene)-2H-thiochromen-4-yl]benzoate Openeye Name: methyl 4-(1,1-dioxo-2H-thiochromen-4-yl)benzoate CAS Name: 4-(1,1-dioxo-2H-1-benzothiopyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,1-dioxo-2H-thiochromen-4-yl)benzoate Traditional Name: 4-(1,1-diketo-2H-thiochromen-4-yl)benzoic acid methyl ester Formula: C17H14O4S MolecularWeight: 314.35566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CCS(=O)(=O)C3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CCS(=O)(=O)C3=CC=CC=C23

InChI

InChI=1S/C17H14O4S/c1-21-17(18)13-8-6-12(7-9-13)14-10-11-22(19,20)16-5-3-2-4-15(14)16/h2-10H,11H2,1H3