ethyl 6-hexyl-4-oxidanylidene-1H-isothiochromene-1-carboxylate

Systemtic Name: ethyl 6-hexyl-4-oxidanylidene-1H-isothiochromene-1-carboxylate Openeye Name: ethyl 6-hexyl-4-oxo-isothiochromane-1-carboxylate CAS Name: 6-hexyl-4-oxo-1H-2-benzothiopyran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hexyl-4-oxo-1H-isothiochromene-1-carboxylate Traditional Name: 6-hexyl-4-keto-isothiochroman-1-carboxylic acid ethyl ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C(SCC2=O)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C(SCC2=O)C(=O)OCC

InChI

InChI=1S/C18H24O3S/c1-3-5-6-7-8-13-9-10-14-15(11-13)16(19)12-22-17(14)18(20)21-4-2/h9-11,17H,3-8,12H2,1-2H3