ethyl 5-methyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-thiochromane-6-carboxylate CAS Name: 5-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 4-keto-5-methyl-thiochroman-6-carboxylic acid ethyl ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1)SCCC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1)SCCC2=O)C

InChI

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