4-[(3-methoxyphenyl)methylsulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(3-methoxyphenyl)methylsulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(3-methoxyphenyl)methylsulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(3-methoxyphenyl)methylthio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(3-methoxyphenyl)methylsulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[(m-anisylthio)methyl]-6,7-dimethyl-coumarin Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O3S/c1-13-7-18-16(10-20(21)23-19(18)8-14(13)2)12-24-11-15-5-4-6-17(9-15)22-3/h4-10H,11-12H2,1-3H3