6-ethynyl-7-methoxy-2,2-dimethyl-3H-thiochromen-4-one

Systemtic Name: 6-ethynyl-7-methoxy-2,2-dimethyl-3H-thiochromen-4-one Openeye Name: 6-ethynyl-7-methoxy-2,2-dimethyl-thiochroman-4-one CAS Name: 6-ethynyl-7-methoxy-2,2-dimethyl-3H-1-benzothiopyran-4-one IUPAC Name: 6-ethynyl-7-methoxy-2,2-dimethyl-3H-thiochromen-4-one Traditional Name: 6-ethynyl-7-methoxy-2,2-dimethyl-thiochroman-4-one Formula: C14H14O2S MolecularWeight: 246.32476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#C)OC)C

Isomeric SMILES

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#C)OC)C

InChI

InChI=1S/C14H14O2S/c1-5-9-6-10-11(15)8-14(2,3)17-13(10)7-12(9)16-4/h1,6-7H,8H2,2-4H3