2-[4-(furan-2-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-(furan-2-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-(2-furyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-(2-furanyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-(furan-2-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-(2-furyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=CO3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=CO3)CC(=O)O

InChI

InChI=1S/C16H14N2O3S/c19-13(20)9-11-14(10-5-2-1-3-6-10)17-16(22)18-15(11)12-7-4-8-21-12/h1-8,15H,9H2,(H,19,20)(H2,17,18,22)