4-[5-(2-methoxyethoxycarbonyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid

Systemtic Name: 4-[5-(2-methoxyethoxycarbonyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Openeye Name: 4-[3-isobutyl-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid CAS Name: 4-[5-[2-methoxyethoxy(oxo)methyl]-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid IUPAC Name: 4-[5-(2-methoxyethoxycarbonyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Traditional Name: 4-[3-isobutyl-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC(C)C)C2=CC=C(C=C2)C(=O)O)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1CC(C)C)C2=CC=C(C=C2)C(=O)O)C(=O)OCCOC

InChI

InChI=1S/C20H26N2O5S/c1-12(2)11-22-13(3)16(19(25)27-10-9-26-4)17(21-20(22)28)14-5-7-15(8-6-14)18(23)24/h5-8,12,17H,9-11H2,1-4H3,(H,21,28)(H,23,24)