methyl 3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]propanoate CAS Name: 3-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]propanoate Traditional Name: 3-[(3-ketobenzo[f]chromen-1-yl)methylthio]propionic acid methyl ester Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCSCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C18H16O4S/c1-21-16(19)8-9-23-11-13-10-17(20)22-15-7-6-12-4-2-3-5-14(12)18(13)15/h2-7,10H,8-9,11H2,1H3