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

Systemtic Name: (phenylmethyl) 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylpropanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H21IN2O4S MolecularWeight: 608.44681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)SC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)SC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C28H21IN2O4S/c1-18(26(32)34-17-19-7-3-2-4-8-19)36-28-30-24(16-31(28)22-13-11-21(29)12-14-22)23-15-20-9-5-6-10-25(20)35-27(23)33/h2-16,18H,17H2,1H3