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

Systemtic Name: propyl 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylpropanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H21IN2O4S MolecularWeight: 560.40401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21IN2O4S/c1-3-12-30-22(28)15(2)32-24-26-20(14-27(24)18-10-8-17(25)9-11-18)19-13-16-6-4-5-7-21(16)31-23(19)29/h4-11,13-15H,3,12H2,1-2H3