2-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoic acid Openeye Name: 2-(4-oxo-3-phenethyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid CAS Name: 2-(4-oxo-3-phenethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid IUPAC Name: 2-(4-oxo-3-phenethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid Traditional Name: 2-(4-keto-3-phenethyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S/c17-12(18)8-11-9-15-14(20)16(13(11)19)7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,20)(H,17,18)