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

Systemtic Name: ethyl 2-[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O4S/c1-2-28-20(26)13-30-22-24-18(12-25(22)16-9-7-15(23)8-10-16)17-11-14-5-3-4-6-19(14)29-21(17)27/h3-12H,2,13H2,1H3