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

Systemtic Name: 2-[4-bromanyl-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(4S)-5-carbethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=C(C=CC(=C2)Br)OCC(=O)O)C

InChI

InChI=1S/C16H17BrN2O5S/c1-3-23-15(22)13-8(2)18-16(25)19-14(13)10-6-9(17)4-5-11(10)24-7-12(20)21/h4-6,14H,3,7H2,1-2H3,(H,20,21)(H2,18,19,25)/t14-/m0/s1