2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-(3-homoveratryl-4-keto-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C(=CNC2=S)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C(=CNC2=S)CC(=O)O)OC

InChI

InChI=1S/C16H18N2O5S/c1-22-12-4-3-10(7-13(12)23-2)5-6-18-15(21)11(8-14(19)20)9-17-16(18)24/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,24)(H,19,20)