methyl 4-acetyloxy-1H-isothiochromene-3-carboxylate

Systemtic Name: methyl 4-acetyloxy-1H-isothiochromene-3-carboxylate Openeye Name: methyl 4-acetoxy-1H-isothiochromene-3-carboxylate CAS Name: 4-acetyloxy-1H-2-benzothiopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyloxy-1H-isothiochromene-3-carboxylate Traditional Name: 4-acetoxy-1H-isothiochromene-3-carboxylic acid methyl ester Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SCC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(SCC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C13H12O4S/c1-8(14)17-11-10-6-4-3-5-9(10)7-18-12(11)13(15)16-2/h3-6H,7H2,1-2H3