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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C23H18O4S MolecularWeight: 390.45162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H18O4S/c24-21(12-13-28-18-7-2-1-3-8-18)26-15-17-14-22(25)27-20-11-10-16-6-4-5-9-19(16)23(17)20/h1-11,14H,12-13,15H2