4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(5-acetyl-2-methoxy-phenyl)methylsulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(5-acetyl-2-methoxyphenyl)methylthio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-acetyl-2-methoxyphenyl)methylsulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(5-acetyl-2-methoxy-benzyl)thio]methyl]-6,7-dimethyl-coumarin Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC3=C(C=CC(=C3)C(=O)C)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC3=C(C=CC(=C3)C(=O)C)OC)C

InChI

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