(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H18O5S/c1-23-15-7-8-17-14(11-20(22)25-18(17)12-15)13-24-19(21)9-10-26-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3