(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)C

InChI

InChI=1S/C22H20O5S/c1-3-15-8-9-17-16(11-21(24)27-19(17)10-15)12-26-22(25)18-6-4-5-7-20(18)28-13-14(2)23/h4-11H,3,12-13H2,1-2H3