4-[2-[[5-cyano-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[5-cyano-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[5-cyano-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[5-cyano-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[5-cyano-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetyl]amino]benzoic acid Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CO3

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CO3

InChI

InChI=1S/C19H15N3O5S/c20-9-14-13(15-2-1-7-27-15)8-16(23)22-18(14)28-10-17(24)21-12-5-3-11(4-6-12)19(25)26/h1-7,13H,8,10H2,(H,21,24)(H,22,23)(H,25,26)