ethyl 3-bromanyl-5,8-dimethyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: ethyl 3-bromanyl-5,8-dimethyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate Openeye Name: ethyl 3-bromo-5,8-dimethyl-4-oxo-thiochromane-6-carboxylate CAS Name: 3-bromo-5,8-dimethyl-4-oxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-bromo-5,8-dimethyl-4-oxo-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 3-bromo-4-keto-5,8-dimethyl-thiochroman-6-carboxylic acid ethyl ester Formula: C14H15BrO3S MolecularWeight: 343.2361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1C)C(=O)C(CS2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1C)C(=O)C(CS2)Br)C

InChI

InChI=1S/C14H15BrO3S/c1-4-18-14(17)9-5-7(2)13-11(8(9)3)12(16)10(15)6-19-13/h5,10H,4,6H2,1-3H3