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

Systemtic Name: 2-[4-[6-methyl-5-(2-methylpropoxycarbonyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(5-isobutoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid CAS Name: 2-[4-[6-methyl-5-[2-methylpropoxy(oxo)methyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid IUPAC Name: 2-[4-[6-methyl-5-(2-methylpropoxycarbonyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid Traditional Name: 2-[4-(5-isobutoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC(=O)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC(=O)O)C(=O)OCC(C)C

InChI

InChI=1S/C18H22N2O5S/c1-10(2)8-25-17(23)15-11(3)19-18(26)20-16(15)12-4-6-13(7-5-12)24-9-14(21)22/h4-7,10,16H,8-9H2,1-3H3,(H,21,22)(H2,19,20,26)