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

Systemtic Name: 2-[6-methyl-4-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-benzyloxyphenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(4-benzoxyphenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-13-17(11-18(23)24)19(25)22(20(27)21-13)15-7-9-16(10-8-15)26-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,27)(H,23,24)