methyl 2-ethyl-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxylate Openeye Name: methyl 2-ethyl-4-oxo-thiochromane-3-carboxylate CAS Name: 2-ethyl-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-oxo-2,3-dihydrothiochromene-3-carboxylate Traditional Name: 2-ethyl-4-keto-thiochroman-3-carboxylic acid methyl ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)C2=CC=CC=C2S1)C(=O)OC

Isomeric SMILES

CCC1C(C(=O)C2=CC=CC=C2S1)C(=O)OC

InChI

InChI=1S/C13H14O3S/c1-3-9-11(13(15)16-2)12(14)8-6-4-5-7-10(8)17-9/h4-7,9,11H,3H2,1-2H3