ethyl 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]acetate CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]acetic acid ethyl ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)OCC)O

InChI

InChI=1S/C16H18O5S/c1-3-10-5-12-11(8-22-9-16(19)20-4-2)6-15(18)21-14(12)7-13(10)17/h5-7,17H,3-4,8-9H2,1-2H3