ethyl 2-[4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-6-iodanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-6-iodanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-6-iodo-phenoxy]acetate CAS Name: 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-6-iodophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-6-iodophenoxy]acetate Traditional Name: 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-6-iodo-phenoxy]acetic acid ethyl ester Formula: C24H25IN2O5S MolecularWeight: 580.43517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)I)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)I)OCC(=O)OCC

InChI

InChI=1S/C24H25IN2O5S/c1-4-30-18-12-16(11-17(25)23(18)32-13-19(29)31-5-2)22-20(14(3)28)21(26-24(33)27-22)15-9-7-6-8-10-15/h6-12,22H,4-5,13H2,1-3H3,(H2,26,27,33)