4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(5-acetyl-2-methoxy-phenyl)methylsulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(5-acetyl-2-methoxyphenyl)methylthio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-acetyl-2-methoxyphenyl)methylsulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5-acetyl-2-methoxy-benzyl)thio]methyl]-7-ethyl-coumarin Formula: C22H22O4S MolecularWeight: 382.47268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C22H22O4S/c1-4-15-5-7-19-17(11-22(24)26-21(19)9-15)12-27-13-18-10-16(14(2)23)6-8-20(18)25-3/h5-11H,4,12-13H2,1-3H3