(4-methylsulfanylphenyl) (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (4-methylsulfanylphenyl) (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (4-methylsulfanylphenyl) (3R)-1-oxoisochromane-3-carboxylate CAS Name: (3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-1-ketoisochroman-3-carboxylic acid [4-(methylthio)phenyl] ester Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C17H14O4S/c1-22-13-8-6-12(7-9-13)20-17(19)15-10-11-4-2-3-5-14(11)16(18)21-15/h2-9,15H,10H2,1H3/t15-/m1/s1