methyl 2-[4-oxidanylidene-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16N2O5S/c1-27-18(25)10-14-9-17(24)23-21(22-14)29-11-13-8-19(26)28-16-7-6-12-4-2-3-5-15(12)20(13)16/h2-9H,10-11H2,1H3,(H,22,23,24)