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

Systemtic Name: 2-[4-chloranyl-2-[(4S)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[(4S)-5-ethoxycarbonyl-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[(4S)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[(4S)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxyphenoxy]acetic acid Traditional Name: 2-[2-[(4S)-5-carbethoxy-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-chloro-6-methoxy-phenoxy]acetic acid Formula: C19H23ClN2O6S MolecularWeight: 442.91372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=CC(=C2OCC(=O)O)OC)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=S)N1)C2=CC(=CC(=C2OCC(=O)O)OC)Cl)C(=O)OCC

InChI

InChI=1S/C19H23ClN2O6S/c1-4-6-12-15(18(25)27-5-2)16(22-19(29)21-12)11-7-10(20)8-13(26-3)17(11)28-9-14(23)24/h7-8,16H,4-6,9H2,1-3H3,(H,23,24)(H2,21,22,29)/t16-/m0/s1