4-[2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C18H12N4O5S/c19-8-12-15(13-2-1-7-27-13)21-18(22-16(12)24)28-9-14(23)20-11-5-3-10(4-6-11)17(25)26/h1-7H,9H2,(H,20,23)(H,25,26)(H,21,22,24)