2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl benzoate

Systemtic Name: 2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl benzoate Openeye Name: 2-(2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(4-keto-2,2-dimethyl-thiochroman-6-yl)ethynyl ester Formula: C20H16O3S MolecularWeight: 336.40424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(S1)C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C2=C(S1)C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H16O3S/c1-20(2)13-17(21)16-12-14(8-9-18(16)24-20)10-11-23-19(22)15-6-4-3-5-7-15/h3-9,12H,13H2,1-2H3