2-methylpropyl 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-methylpropyl 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: isobutyl 2-[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-iodophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-iodophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]acetic acid isobutyl ester Formula: C24H21IN2O4S MolecularWeight: 560.40401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21IN2O4S/c1-15(2)13-30-22(28)14-32-24-26-20(12-27(24)18-9-7-17(25)8-10-18)19-11-16-5-3-4-6-21(16)31-23(19)29/h3-12,15H,13-14H2,1-2H3