methyl 2-[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(4-bromophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-bromophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]acetic acid methyl ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=CN1C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)CSC1=NC(=CN1C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H15BrN2O4S/c1-27-19(25)12-29-21-23-17(11-24(21)15-8-6-14(22)7-9-15)16-10-13-4-2-3-5-18(13)28-20(16)26/h2-11H,12H2,1H3