7-methoxy-4-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(2,3,5,6-tetramethylphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(2,3,5,6-tetramethylphenyl)thio]methyl]coumarin Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C)C

InChI

InChI=1S/C21H22O3S/c1-12-8-13(2)15(4)21(14(12)3)25-11-16-9-20(22)24-19-10-17(23-5)6-7-18(16)19/h6-10H,11H2,1-5H3