2-[2-chloranyl-4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-methoxy-phenoxy]acetic acid Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)Cl)OCC(=O)O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)Cl)OCC(=O)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O5S/c1-11(25)17-18(12-6-4-3-5-7-12)23-21(30)24-19(17)13-8-14(22)20(15(9-13)28-2)29-10-16(26)27/h3-9,19H,10H2,1-2H3,(H,26,27)(H2,23,24,30)