methyl 4-[2-methylsulfanyl-4-(2-oxidanylidenechromen-3-yl)imidazol-1-yl]benzoate

Systemtic Name: methyl 4-[2-methylsulfanyl-4-(2-oxidanylidenechromen-3-yl)imidazol-1-yl]benzoate Openeye Name: methyl 4-[2-methylsulfanyl-4-(2-oxochromen-3-yl)imidazol-1-yl]benzoate CAS Name: 4-[2-(methylthio)-4-(2-oxo-1-benzopyran-3-yl)-1-imidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-methylsulfanyl-4-(2-oxochromen-3-yl)imidazol-1-yl]benzoate Traditional Name: 4-[4-(2-ketochromen-3-yl)-2-(methylthio)imidazol-1-yl]benzoic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C=C(N=C2SC)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C=C(N=C2SC)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H16N2O4S/c1-26-19(24)13-7-9-15(10-8-13)23-12-17(22-21(23)28-2)16-11-14-5-3-4-6-18(14)27-20(16)25/h3-12H,1-2H3