ethyl 3-methyl-4-oxidanylidene-2H-thiochromene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSC2=CC=CC=C2C1=O)C

Isomeric SMILES

CCOC(=O)C1(CSC2=CC=CC=C2C1=O)C

InChI

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