3-(2,4-dimethoxyphenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(2,4-dimethoxyphenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(2,4-dimethoxyphenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(2,4-dimethoxyphenyl)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C(C(=O)O)SC2=NCCC(=O)N2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C=C(C(=O)O)SC2=NCCC(=O)N2)OC

InChI

InChI=1S/C15H16N2O5S/c1-21-10-4-3-9(11(8-10)22-2)7-12(14(19)20)23-15-16-6-5-13(18)17-15/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)(H,16,17,18)