ethyl 8-chloranyl-5-methoxy-3,3-dimethyl-4-oxidanylidene-2H-thiochromene-6-carboxylate

Systemtic Name: ethyl 8-chloranyl-5-methoxy-3,3-dimethyl-4-oxidanylidene-2H-thiochromene-6-carboxylate Openeye Name: ethyl 8-chloro-5-methoxy-3,3-dimethyl-4-oxo-thiochromane-6-carboxylate CAS Name: 8-chloro-5-methoxy-3,3-dimethyl-4-oxo-2H-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-5-methoxy-3,3-dimethyl-4-oxo-2H-thiochromene-6-carboxylate Traditional Name: 8-chloro-4-keto-5-methoxy-3,3-dimethyl-thiochroman-6-carboxylic acid ethyl ester Formula: C15H17ClO4S MolecularWeight: 328.81108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1OC)C(=O)C(CS2)(C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1OC)C(=O)C(CS2)(C)C)Cl

InChI

InChI=1S/C15H17ClO4S/c1-5-20-14(18)8-6-9(16)12-10(11(8)19-4)13(17)15(2,3)7-21-12/h6H,5,7H2,1-4H3