(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClO5S/c1-12(27-16-6-3-14(21)4-7-16)20(23)25-11-13-9-19(22)26-18-10-15(24-2)5-8-17(13)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1