(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 2-butylsulfanylethanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 2-butylsulfanylethanoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) 2-butylsulfanylacetate CAS Name: 2-(butylthio)acetic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) 2-butylsulfanylacetate Traditional Name: 2-(butylthio)acetic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCSCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3

InChI

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