2-[6-methyl-4-oxidanylidene-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-4-oxidanylidene-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-4-oxo-3-(4-phenoxyphenyl)-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-3-(4-phenoxyphenyl)-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-12-16(11-17(22)23)18(24)21(19(26)20-12)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,26)(H,22,23)