ethyl 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[1-(4-iodophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[1-(4-iodophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]propionic acid ethyl ester Formula: C23H19IN2O4S MolecularWeight: 546.37743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C(C)SC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H19IN2O4S/c1-3-29-21(27)14(2)31-23-25-19(13-26(23)17-10-8-16(24)9-11-17)18-12-15-6-4-5-7-20(15)30-22(18)28/h4-14H,3H2,1-2H3