ethyl 4-[2-(7-methoxy-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(7-methoxy-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(7-methoxy-2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4-keto-7-methoxy-2,2-dimethyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C23H22O4S MolecularWeight: 394.48338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2OC)SC(CC3=O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2OC)SC(CC3=O)(C)C

InChI

InChI=1S/C23H22O4S/c1-5-27-22(25)16-9-6-15(7-10-16)8-11-17-12-18-19(24)14-23(2,3)28-21(18)13-20(17)26-4/h6-7,9-10,12-13H,5,14H2,1-4H3